Organofluorides

Organic compounds that contain one or more fluorine atoms.

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1,2-Dibromohexafluoropropane, 95%

CAS: 661-95-0 Molecular Formula: C3Br2F6 Molecular Weight (g/mol): 309.83 MDL Number: MFCD00013568 InChI Key: KTULQNFKNLFOHL-UHFFFAOYNA-N Synonym: 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro PubChem CID: 69579 IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane SMILES: FC(F)(F)C(F)(Br)C(F)(F)Br

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PubChem CID	69579
CAS	661-95-0
Molecular Weight (g/mol)	309.83
MDL Number	MFCD00013568
SMILES	FC(F)(F)C(F)(Br)C(F)(F)Br
Synonym	1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro
IUPAC Name	1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
InChI Key	KTULQNFKNLFOHL-UHFFFAOYNA-N
Molecular Formula	C3Br2F6

Octadecafluorodecahydronaphthalene 95.0+%, TCI America™

CAS: 306-94-5 Molecular Formula: C10F18 Molecular Weight (g/mol): 462.081 MDL Number: MFCD00010626 InChI Key: UWEYRJFJVCLAGH-UHFFFAOYSA-N Synonym: perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin PubChem CID: 9386 ChEBI: CHEBI:38848 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

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PubChem CID	9386
CAS	306-94-5
Molecular Weight (g/mol)	462.081
ChEBI	CHEBI:38848
MDL Number	MFCD00010626
SMILES	C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
Synonym	perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
InChI Key	UWEYRJFJVCLAGH-UHFFFAOYSA-N
Molecular Formula	C10F18

Perfluorohexanes, 98+%, Thermo Scientific Chemicals

CAS: 355-42-0 Molecular Formula: C6F14 Molecular Weight (g/mol): 338.044 MDL Number: MFCD00000437 InChI Key: ZJIJAJXFLBMLCK-UHFFFAOYSA-N Synonym: perfluorohexane,perflexane,tetradecafluorohexane,perfluoro-n-hexane,flutec pp1,hexane, tetradecafluoro,n-tetradecafluorohexane,fluorinert fc72,perfluorohexanes,perflexane usan:inn PubChem CID: 9639 ChEBI: CHEBI:39427 IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

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Specifications

PubChem CID	9639
CAS	355-42-0
Molecular Weight (g/mol)	338.044
ChEBI	CHEBI:39427
MDL Number	MFCD00000437
SMILES	C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
Synonym	perfluorohexane,perflexane,tetradecafluorohexane,perfluoro-n-hexane,flutec pp1,hexane, tetradecafluoro,n-tetradecafluorohexane,fluorinert fc72,perfluorohexanes,perflexane usan:inn
IUPAC Name	1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
InChI Key	ZJIJAJXFLBMLCK-UHFFFAOYSA-N
Molecular Formula	C6F14

1H,1H-Undecafluorohexylamine 97.0+%, TCI America™

CAS: 355-34-0 Molecular Formula: C6H4F11N Molecular Weight (g/mol): 299.087 MDL Number: MFCD09025929 InChI Key: FDIHRNYGDZQEAV-UHFFFAOYSA-N Synonym: 1H,1H-Perfluorohexylamine PubChem CID: 21923864 IUPAC Name: 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine SMILES: C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N

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Specifications

PubChem CID	21923864
CAS	355-34-0
Molecular Weight (g/mol)	299.087
MDL Number	MFCD09025929
SMILES	C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Synonym	1H,1H-Perfluorohexylamine
IUPAC Name	2,2,3,3,4,4,5,5,6,6,6-undecafluorohexan-1-amine
InChI Key	FDIHRNYGDZQEAV-UHFFFAOYSA-N
Molecular Formula	C6H4F11N

1-Fluoroadamantane 98.0+%, TCI America™

CAS: 768-92-3 Molecular Formula: C10H15F Molecular Weight (g/mol): 154.228 InChI Key: CPWSNJSGSXXVLD-UHFFFAOYSA-N Synonym: 1-Adamantyl Fluoride PubChem CID: 136608 IUPAC Name: 1-fluoroadamantane SMILES: C1C2CC3CC1CC(C2)(C3)F

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PubChem CID	136608
CAS	768-92-3
Molecular Weight (g/mol)	154.228
SMILES	C1C2CC3CC1CC(C2)(C3)F
Synonym	1-Adamantyl Fluoride
IUPAC Name	1-fluoroadamantane
InChI Key	CPWSNJSGSXXVLD-UHFFFAOYSA-N
Molecular Formula	C10H15F

1,8-Dibromohexadecafluorooctane 97.0+%, TCI America™

CAS: 812-58-8 Molecular Formula: C8Br2F16 Molecular Weight (g/mol): 559.87 MDL Number: MFCD00153111 InChI Key: LYRJPHOHVRHNQH-UHFFFAOYSA-N Synonym: 1,8-Dibromoperfluorooctane PubChem CID: 2736786 IUPAC Name: 1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane SMILES: FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br

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Specifications

PubChem CID	2736786
CAS	812-58-8
Molecular Weight (g/mol)	559.87
MDL Number	MFCD00153111
SMILES	FC(F)(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
Synonym	1,8-Dibromoperfluorooctane
IUPAC Name	1,8-dibromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
InChI Key	LYRJPHOHVRHNQH-UHFFFAOYSA-N
Molecular Formula	C8Br2F16

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Perfluorodecalin, 90%, mixture of cis and trans, Thermo Scientific Chemicals

CAS: 306-94-5 Molecular Formula: C₁₀F₁₈ Molecular Weight (g/mol): 462.08 MDL Number: MFCD00010626 InChI Key: UWEYRJFJVCLAGH-UHFFFAOYSA-N Synonym: perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin PubChem CID: 9386 ChEBI: CHEBI:38848 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene SMILES: C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

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Specifications

PubChem CID	9386
CAS	306-94-5
Molecular Weight (g/mol)	462.08
ChEBI	CHEBI:38848
MDL Number	MFCD00010626
SMILES	C12(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F
Synonym	perfluorodecalin,perflunafene,octadecafluorodecahydronaphthalene,cis-perfluorodecalin,trans-perfluorodecalin,perfluorodecahydronaphthalene,naphthalene, octadecafluorodecahydro,f-dc,pp 5,perflunafenum latin
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene
InChI Key	UWEYRJFJVCLAGH-UHFFFAOYSA-N
Molecular Formula	C₁₀F₁₈

Fluoroacetonitrile 98.0+%, TCI America™

CAS: 503-20-8 Molecular Formula: C2H2FN Molecular Weight (g/mol): 59.043 MDL Number: MFCD00009969 InChI Key: GNFVFPBRMLIKIM-UHFFFAOYSA-N PubChem CID: 10420 IUPAC Name: 2-fluoroacetonitrile SMILES: C(C#N)F

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Specifications

PubChem CID	10420
CAS	503-20-8
Molecular Weight (g/mol)	59.043
MDL Number	MFCD00009969
SMILES	C(C#N)F
IUPAC Name	2-fluoroacetonitrile
InChI Key	GNFVFPBRMLIKIM-UHFFFAOYSA-N
Molecular Formula	C2H2FN

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7-(Trifluoromethyl)quinoline, 97%

CAS: 325-14-4 Molecular Formula: C10H6F3N Molecular Weight (g/mol): 197.16 MDL Number: MFCD00833760 InChI Key: CMMSEFHVUYEEDY-UHFFFAOYSA-N Synonym: 7-trifluoromethyl quinoline,7-cf3 quinoline,7-trrfluoromethylquinoline,pubchem7218,7-trifluoromethyl-quinoline,acmc-20a40f,quinoline,7-trifluoromethyl,quinoline, 7-trifluoromethyl PubChem CID: 459614 IUPAC Name: 7-(trifluoromethyl)quinoline SMILES: C1=CC2=C(C=C(C=C2)C(F)(F)F)N=C1

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Specifications

PubChem CID	459614
CAS	325-14-4
Molecular Weight (g/mol)	197.16
MDL Number	MFCD00833760
SMILES	C1=CC2=C(C=C(C=C2)C(F)(F)F)N=C1
Synonym	7-trifluoromethyl quinoline,7-cf3 quinoline,7-trrfluoromethylquinoline,pubchem7218,7-trifluoromethyl-quinoline,acmc-20a40f,quinoline,7-trifluoromethyl,quinoline, 7-trifluoromethyl
IUPAC Name	7-(trifluoromethyl)quinoline
InChI Key	CMMSEFHVUYEEDY-UHFFFAOYSA-N
Molecular Formula	C10H6F3N

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Perfluoro(methyldecahydronaphthalene), tech. 85%, mixture of isomers, Thermo Scientific Chemicals

CAS: 51294-16-7 Molecular Formula: C11F20 Molecular Weight (g/mol): 512.09 MDL Number: MFCD00014326 InChI Key: LWRNQOBXRHWPGE-UHFFFAOYNA-N Synonym: perfluoromethyldecalin,perfluoro methyldecalin,flutec pp9,perfluoro 1-methyldecalin,perfluoro-1-methyldecalin,pp 9,perfluoro methyldecalin , tech.,naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-trifluoromethyl,heptadecafluorodecahydro-1-trifluoromethyl naphthalene,1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-trifluoromethyl naphthalene PubChem CID: 39977 IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene SMILES: FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F

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Specifications

PubChem CID	39977
CAS	51294-16-7
Molecular Weight (g/mol)	512.09
MDL Number	MFCD00014326
SMILES	FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
Synonym	perfluoromethyldecalin,perfluoro methyldecalin,flutec pp9,perfluoro 1-methyldecalin,perfluoro-1-methyldecalin,pp 9,perfluoro methyldecalin , tech.,naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluorodecahydro-8-trifluoromethyl,heptadecafluorodecahydro-1-trifluoromethyl naphthalene,1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-trifluoromethyl naphthalene
IUPAC Name	1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
InChI Key	LWRNQOBXRHWPGE-UHFFFAOYNA-N
Molecular Formula	C11F20

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2,2,2-Trifluoroethyl formate, 95%, Thermo Scientific Chemicals

CAS: 32042-38-9 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD06797733 InChI Key: CAFROQYMUICGNO-UHFFFAOYSA-N Synonym: tfef,formic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylformate,trifluoroethyl formate,zlchem 326,hcooch2cf3,acmc-209hq8,ksc495g7p,2,2,2-trifluoroethyl formate,2,2,2-tris fluoranyl ethyl methanoate PubChem CID: 141681 IUPAC Name: 2,2,2-trifluoroethyl formate SMILES: FC(F)(F)COC=O

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Specifications

PubChem CID	141681
CAS	32042-38-9
Molecular Weight (g/mol)	128.05
MDL Number	MFCD06797733
SMILES	FC(F)(F)COC=O
Synonym	tfef,formic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethylformate,trifluoroethyl formate,zlchem 326,hcooch2cf3,acmc-209hq8,ksc495g7p,2,2,2-trifluoroethyl formate,2,2,2-tris fluoranyl ethyl methanoate
IUPAC Name	2,2,2-trifluoroethyl formate
InChI Key	CAFROQYMUICGNO-UHFFFAOYSA-N
Molecular Formula	C3H3F3O2

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Trans-4-(Trifluoromethyl)cyclohexanecarboxylic acid, 98%

CAS: 133261-33-3 Molecular Formula: C₈H₁₁F₃O₂ Molecular Weight (g/mol): 196.17 MDL Number: MFCD09037363 InChI Key: LMEAZIIFLVDISW-UHFFFAOYSA-N Synonym: 4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid PubChem CID: 2779182 IUPAC Name: 4-(trifluoromethyl)cyclohexane-1-carboxylic acid SMILES: C1CC(CCC1C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2779182
CAS	133261-33-3
Molecular Weight (g/mol)	196.17
MDL Number	MFCD09037363
SMILES	C1CC(CCC1C(=O)O)C(F)(F)F
Synonym	4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexanecarboxylic acid,cis-4-trifluoromethyl cyclohexanecarboxylic acid,4-trifluoromethyl cyclohexane-1-carboxylic acid,1r,4r-4-trifluoromethyl cyclohexanecarboxylic acid,trans-4-trifluoromethyl cyclohexane-carboxylicacid,trans-4-trifluoromethyl cyclohexane-carboxylic acid,trans-4-trifluoromethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-trifluoromethyl,4-trifluoromethyl-cyclohexanecarboxylic acid
IUPAC Name	4-(trifluoromethyl)cyclohexane-1-carboxylic acid
InChI Key	LMEAZIIFLVDISW-UHFFFAOYSA-N
Molecular Formula	C₈H₁₁F₃O₂

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5-(Trifluoromethyl)pyridine-2-carboxylic acid, 95%

CAS: 80194-69-0 Molecular Formula: C7H4F3NO2 Molecular Weight (g/mol): 191.109 MDL Number: MFCD04113632 InChI Key: NJHGVAYLDHROPT-UHFFFAOYSA-N Synonym: 5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2 PubChem CID: 10910349 IUPAC Name: 5-(trifluoromethyl)pyridine-2-carboxylic acid SMILES: C1=CC(=NC=C1C(F)(F)F)C(=O)O

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PubChem CID	10910349
CAS	80194-69-0
Molecular Weight (g/mol)	191.109
MDL Number	MFCD04113632
SMILES	C1=CC(=NC=C1C(F)(F)F)C(=O)O
Synonym	5-trifluoromethyl pyridine-2-carboxylic acid,5-trifluoromethyl picolinic acid,5-trifluoromethyl-2-pyridinecarboxylic acid,5-trifluoromethyl-pyridine-2-carboxylic acid,2-pyridinecarboxylic acid, 5-trifluoromethyl,5-trifluoromethyl pyridine-2-carboxylicacid,pubchem15164,acmc-209pj2
IUPAC Name	5-(trifluoromethyl)pyridine-2-carboxylic acid
InChI Key	NJHGVAYLDHROPT-UHFFFAOYSA-N
Molecular Formula	C7H4F3NO2

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3-(Difluoromethyl)aniline, 97%

CAS: 368-99-0 Molecular Formula: C7H7F2N Molecular Weight (g/mol): 143.14 MDL Number: MFCD18384830 InChI Key: IDFPXKDJNDYDKA-UHFFFAOYSA-N Synonym: 3-difluoromethyl aniline,3-difluoromethyl benzenamine,3-difluoromethyl-phenylamine,3-difluoromethyl benzenamine hcl PubChem CID: 23445119 IUPAC Name: 3-(difluoromethyl)aniline SMILES: NC1=CC=CC(=C1)C(F)F

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Specifications

PubChem CID	23445119
CAS	368-99-0
Molecular Weight (g/mol)	143.14
MDL Number	MFCD18384830
SMILES	NC1=CC=CC(=C1)C(F)F
Synonym	3-difluoromethyl aniline,3-difluoromethyl benzenamine,3-difluoromethyl-phenylamine,3-difluoromethyl benzenamine hcl
IUPAC Name	3-(difluoromethyl)aniline
InChI Key	IDFPXKDJNDYDKA-UHFFFAOYSA-N
Molecular Formula	C7H7F2N

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3,3,3-Trifluoropropionic acid, 98%

CAS: 2516-99-6 Molecular Formula: C3H3F3O2 Molecular Weight (g/mol): 128.05 MDL Number: MFCD00153292 InChI Key: KSNKQSPJFRQSEI-UHFFFAOYSA-N Synonym: 3,3,3-trifluoropropionic acid,3,3,3-trifluoro-propionic acid,propanoic acid, 3,3,3-trifluoro,tfpa,acmc-209ghu,trifluoromethylacetic acid,trifluoromethyl acetic acid,ksc203o6p,3,3,3,-trifluoropropionic acid,3,3,3-tri-fluoropropionic acid PubChem CID: 2777972 IUPAC Name: 3,3,3-trifluoropropanoic acid SMILES: C(C(=O)O)C(F)(F)F

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Specifications

PubChem CID	2777972
CAS	2516-99-6
Molecular Weight (g/mol)	128.05
MDL Number	MFCD00153292
SMILES	C(C(=O)O)C(F)(F)F
Synonym	3,3,3-trifluoropropionic acid,3,3,3-trifluoro-propionic acid,propanoic acid, 3,3,3-trifluoro,tfpa,acmc-209ghu,trifluoromethylacetic acid,trifluoromethyl acetic acid,ksc203o6p,3,3,3,-trifluoropropionic acid,3,3,3-tri-fluoropropionic acid
IUPAC Name	3,3,3-trifluoropropanoic acid
InChI Key	KSNKQSPJFRQSEI-UHFFFAOYSA-N
Molecular Formula	C3H3F3O2

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