Organooxygen compounds
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Hexadecanal 97.0+%, TCI America™
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CAS: 629-80-1 Molecular Formula: C16H32O Molecular Weight (g/mol): 240.431 MDL Number: MFCD00055568 InChI Key: NIOYUNMRJMEDGI-UHFFFAOYSA-N Synonym: Hexadecanaldehyde, Hexadecyl Aldehyde, Palmitaldehyde, Palmityl Aldehyde PubChem CID: 984 ChEBI: CHEBI:17600 IUPAC Name: hexadecanal SMILES: CCCCCCCCCCCCCCCC=O
| PubChem CID | 984 |
|---|---|
| CAS | 629-80-1 |
| Molecular Weight (g/mol) | 240.431 |
| ChEBI | CHEBI:17600 |
| MDL Number | MFCD00055568 |
| SMILES | CCCCCCCCCCCCCCCC=O |
| Synonym | Hexadecanaldehyde, Hexadecyl Aldehyde, Palmitaldehyde, Palmityl Aldehyde |
| IUPAC Name | hexadecanal |
| InChI Key | NIOYUNMRJMEDGI-UHFFFAOYSA-N |
| Molecular Formula | C16H32O |
Isochroman 98.0+%, TCI America™
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CAS: 493-05-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00006913 InChI Key: HEBMCVBCEDMUOF-UHFFFAOYSA-N Synonym: isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l PubChem CID: 96266 ChEBI: CHEBI:33225 IUPAC Name: 3,4-dihydro-1H-2-benzopyran SMILES: C1CC2=CC=CC=C2CO1
| PubChem CID | 96266 |
|---|---|
| CAS | 493-05-0 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:33225 |
| MDL Number | MFCD00006913 |
| SMILES | C1CC2=CC=CC=C2CO1 |
| Synonym | isochroman,isochromane,3,4-dihydro-1h-2-benzopyran,1h-2-benzopyran, 3,4-dihydro,3,4-dihydro-1h-benzo c pyran,pubchem20553,acmc-209kfu,isochroman 10g,ksc237m1l |
| IUPAC Name | 3,4-dihydro-1H-2-benzopyran |
| InChI Key | HEBMCVBCEDMUOF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
5,6-Dimethoxy-1-indanone 98.0+%, TCI America™
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CAS: 2107-69-9 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 InChI Key: IHMQOBPGHZFGLC-UHFFFAOYSA-N Synonym: 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on PubChem CID: 75018 IUPAC Name: 5,6-dimethoxy-2,3-dihydroinden-1-one SMILES: COC1=C(C=C2C(=C1)CCC2=O)OC
| PubChem CID | 75018 |
|---|---|
| CAS | 2107-69-9 |
| Molecular Weight (g/mol) | 192.214 |
| SMILES | COC1=C(C=C2C(=C1)CCC2=O)OC |
| Synonym | 5,6-dimethoxy-1-indanone,5,6-dimethoxy-2,3-dihydro-1h-inden-1-one,5,6-dimethoxyindan-1-one,5,6-dimethoxy-indan-1-one,1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy,5,6-dimethoxyindanone,unii-f805rzi8go,f805rzi8go,1-indanone, 5,6-dimethoxy,5,6-dimethoxyindan-1-on |
| IUPAC Name | 5,6-dimethoxy-2,3-dihydroinden-1-one |
| InChI Key | IHMQOBPGHZFGLC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
5,12-Naphthacenequinone 98.0+%, TCI America™
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CAS: 1090-13-7 Molecular Formula: C18H10O2 Molecular Weight (g/mol): 258.28 MDL Number: MFCD00003701 InChI Key: LZPBKINTWROMEA-UHFFFAOYSA-N Synonym: 5,12-naphthacenequinone,5,12-naphthacenedione,naphthacenequinone,5,12-tetracenequinone,tetracenemonoquinone,naphthacene-6,11-quinone,naphthacene-5,12-dione,tetracenequinone,5,12-naphtacenequinone,tetracene-5,12-quinone PubChem CID: 14160 ChEBI: CHEBI:51287 IUPAC Name: 5,12-dihydrotetracene-5,12-dione SMILES: O=C1C2=CC=CC=C2C(=O)C2=C1C=C1C=CC=CC1=C2
| PubChem CID | 14160 |
|---|---|
| CAS | 1090-13-7 |
| Molecular Weight (g/mol) | 258.28 |
| ChEBI | CHEBI:51287 |
| MDL Number | MFCD00003701 |
| SMILES | O=C1C2=CC=CC=C2C(=O)C2=C1C=C1C=CC=CC1=C2 |
| Synonym | 5,12-naphthacenequinone,5,12-naphthacenedione,naphthacenequinone,5,12-tetracenequinone,tetracenemonoquinone,naphthacene-6,11-quinone,naphthacene-5,12-dione,tetracenequinone,5,12-naphtacenequinone,tetracene-5,12-quinone |
| IUPAC Name | 5,12-dihydrotetracene-5,12-dione |
| InChI Key | LZPBKINTWROMEA-UHFFFAOYSA-N |
| Molecular Formula | C18H10O2 |
2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one 98.0+%, TCI America™
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CAS: 95111-49-2 Molecular Formula: C7H3Br4NO3 Molecular Weight (g/mol): 468.721 MDL Number: MFCD00067043 InChI Key: KKWDBDVGMIDKLP-UHFFFAOYSA-N Synonym: 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one,acmc-209ruw,2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone,4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one,2,3,5,6-tetrabromo-4-methyl-4-nitro-cyclohexa-2,5-dien-1-one PubChem CID: 2724547 IUPAC Name: 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one SMILES: CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-]
| PubChem CID | 2724547 |
|---|---|
| CAS | 95111-49-2 |
| Molecular Weight (g/mol) | 468.721 |
| MDL Number | MFCD00067043 |
| SMILES | CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-] |
| Synonym | 2,3,5,6-tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one,acmc-209ruw,2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dienone,4-nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one,2,3,5,6-tetrabromo-4-methyl-4-nitro-cyclohexa-2,5-dien-1-one |
| IUPAC Name | 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one |
| InChI Key | KKWDBDVGMIDKLP-UHFFFAOYSA-N |
| Molecular Formula | C7H3Br4NO3 |
2,2-Bis(4-hydroxycyclohexyl)propane (mixture of isomers) 93.0+%, TCI America™
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CAS: 80-04-6 Molecular Formula: C15H28O2 Molecular Weight (g/mol): 240.387 MDL Number: MFCD00019334 InChI Key: CDBAMNGURPMUTG-UHFFFAOYSA-N PubChem CID: 94932 IUPAC Name: 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol SMILES: CC(C)(C1CCC(CC1)O)C2CCC(CC2)O
| PubChem CID | 94932 |
|---|---|
| CAS | 80-04-6 |
| Molecular Weight (g/mol) | 240.387 |
| MDL Number | MFCD00019334 |
| SMILES | CC(C)(C1CCC(CC1)O)C2CCC(CC2)O |
| IUPAC Name | 4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol |
| InChI Key | CDBAMNGURPMUTG-UHFFFAOYSA-N |
| Molecular Formula | C15H28O2 |
2-Propionylthiazole 98.0+%, TCI America™
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CAS: 43039-98-1 Molecular Formula: C6H7NOS Molecular Weight (g/mol): 141.188 MDL Number: MFCD01681404 InChI Key: TYRAENAWSLPSLW-UHFFFAOYSA-N Synonym: 2-propionylthiazole,1-thiazol-2-yl propan-1-one,2-propionyl thiazole,thiazole, 2-propionyl,1-propanone, 1-2-thiazolyl,1-2-thiazolyl-1-propanone,ethyl 2-thiazolyl ketone,1-1,3-thiazol-2-yl propan-1-one,2-propionylthiazol,unii-05cb62uh9k PubChem CID: 65288 IUPAC Name: 1-(1,3-thiazol-2-yl)propan-1-one SMILES: CCC(=O)C1=NC=CS1
| PubChem CID | 65288 |
|---|---|
| CAS | 43039-98-1 |
| Molecular Weight (g/mol) | 141.188 |
| MDL Number | MFCD01681404 |
| SMILES | CCC(=O)C1=NC=CS1 |
| Synonym | 2-propionylthiazole,1-thiazol-2-yl propan-1-one,2-propionyl thiazole,thiazole, 2-propionyl,1-propanone, 1-2-thiazolyl,1-2-thiazolyl-1-propanone,ethyl 2-thiazolyl ketone,1-1,3-thiazol-2-yl propan-1-one,2-propionylthiazol,unii-05cb62uh9k |
| IUPAC Name | 1-(1,3-thiazol-2-yl)propan-1-one |
| InChI Key | TYRAENAWSLPSLW-UHFFFAOYSA-N |
| Molecular Formula | C6H7NOS |
3-Pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.112 MDL Number: MFCD00006382 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
| PubChem CID | 10371 |
|---|---|
| CAS | 500-22-1 |
| Molecular Weight (g/mol) | 107.112 |
| ChEBI | CHEBI:28345 |
| MDL Number | MFCD00006382 |
| SMILES | C1=CC(=CN=C1)C=O |
| Synonym | 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde |
| IUPAC Name | pyridine-3-carbaldehyde |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
1,5,6,7-Tetrahydro-4H-indol-4-one 99.0+%, TCI America™
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CAS: 13754-86-4 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.166 MDL Number: MFCD00075438 InChI Key: KASJZXHXXNEULX-UHFFFAOYSA-N Synonym: 4-Oxo-4,5,6,7-tetrahydroindole PubChem CID: 280229 IUPAC Name: 1,5,6,7-tetrahydroindol-4-one SMILES: C1CC2=C(C=CN2)C(=O)C1
| PubChem CID | 280229 |
|---|---|
| CAS | 13754-86-4 |
| Molecular Weight (g/mol) | 135.166 |
| MDL Number | MFCD00075438 |
| SMILES | C1CC2=C(C=CN2)C(=O)C1 |
| Synonym | 4-Oxo-4,5,6,7-tetrahydroindole |
| IUPAC Name | 1,5,6,7-tetrahydroindol-4-one |
| InChI Key | KASJZXHXXNEULX-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |
3-(4-Fluorobenzoyl)propionic Acid 97.0+%, TCI America™
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CAS: 366-77-8 Molecular Formula: C10H9FO3 Molecular Weight (g/mol): 196.177 MDL Number: MFCD00002793 InChI Key: WUYWHIAAQYQKPP-UHFFFAOYSA-N Synonym: 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid PubChem CID: 101359 IUPAC Name: 4-(4-fluorophenyl)-4-oxobutanoic acid SMILES: C1=CC(=CC=C1C(=O)CCC(=O)O)F
| PubChem CID | 101359 |
|---|---|
| CAS | 366-77-8 |
| Molecular Weight (g/mol) | 196.177 |
| MDL Number | MFCD00002793 |
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)O)F |
| Synonym | 3-4-fluorobenzoyl propionic acid,4-4-fluorophenyl-4-oxobutanoic acid,3-4-fluorobenzoyl propanoic acid,haloperidol metabolite iii,unii-v2z6n6jc9z,beta-4-fluorobenzoyl propionic acid,v2z6n6jc9z,3-p-fluorobenzoyl propionic acid,4-4-fluoro-phenyl-4-oxo-butyric acid |
| IUPAC Name | 4-(4-fluorophenyl)-4-oxobutanoic acid |
| InChI Key | WUYWHIAAQYQKPP-UHFFFAOYSA-N |
| Molecular Formula | C10H9FO3 |
2',5'-Difluoroacetophenone 98.0+%, TCI America™
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CAS: 1979-36-8 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009898 InChI Key: HLAFIZUVVWJAKL-UHFFFAOYSA-N Synonym: 2',5'-difluoroacetophenone,1-2,5-difluorophenyl ethanone,2,5-difluoroacetophenone,1-2,5-difluorophenyl ethan-1-one,ethanone, 1-2,5-difluorophenyl,1-acetyl-2,5-difluorobenzene,fr df bv1,pubchem8394,2,5-difluoro acetophenone,acmc-209f2b PubChem CID: 74794 IUPAC Name: 1-(2,5-difluorophenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)F)F
| PubChem CID | 74794 |
|---|---|
| CAS | 1979-36-8 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00009898 |
| SMILES | CC(=O)C1=C(C=CC(=C1)F)F |
| Synonym | 2',5'-difluoroacetophenone,1-2,5-difluorophenyl ethanone,2,5-difluoroacetophenone,1-2,5-difluorophenyl ethan-1-one,ethanone, 1-2,5-difluorophenyl,1-acetyl-2,5-difluorobenzene,fr df bv1,pubchem8394,2,5-difluoro acetophenone,acmc-209f2b |
| IUPAC Name | 1-(2,5-difluorophenyl)ethanone |
| InChI Key | HLAFIZUVVWJAKL-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
Cyclopentanol 99.0+%, TCI America™
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CAS: 96-41-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.134 MDL Number: MFCD00001363 InChI Key: XCIXKGXIYUWCLL-UHFFFAOYSA-N Synonym: hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol PubChem CID: 7298 ChEBI: CHEBI:16133 IUPAC Name: cyclopentanol SMILES: C1CCC(C1)O
| PubChem CID | 7298 |
|---|---|
| CAS | 96-41-3 |
| Molecular Weight (g/mol) | 86.134 |
| ChEBI | CHEBI:16133 |
| MDL Number | MFCD00001363 |
| SMILES | C1CCC(C1)O |
| Synonym | hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol |
| IUPAC Name | cyclopentanol |
| InChI Key | XCIXKGXIYUWCLL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
3',5'-Dibromo-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 22362-66-9 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.942 MDL Number: MFCD00191992 InChI Key: RCKHUOIKVIOMGZ-UHFFFAOYSA-N Synonym: 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl PubChem CID: 271762 IUPAC Name: 1-(3,5-dibromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1O)Br)Br
| PubChem CID | 271762 |
|---|---|
| CAS | 22362-66-9 |
| Molecular Weight (g/mol) | 293.942 |
| MDL Number | MFCD00191992 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)Br)Br |
| Synonym | 3',5'-dibromo-2'-hydroxyacetophenone,1-3,5-dibromo-2-hydroxyphenyl ethanone,1-3,5-dibromo-2-hydroxyphenyl ethan-1-one,3´,5´-dibromo-2´-hydroxyacetophenone,1-acetyl-3,5-dibromo-2-hydroxybenzene,acmc-1cp7q,2-acetyl-4,6-dibromophenol,dibromooxochromenecarboxylicacid,3/',5/'-dibromo-2/'-hydroxyacetophenone,ethanone,1-3,5-dibromo-2-hydroxyphenyl |
| IUPAC Name | 1-(3,5-dibromo-2-hydroxyphenyl)ethanone |
| InChI Key | RCKHUOIKVIOMGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
Propionaldehyde Diethyl Acetal 98.0+%, TCI America™
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CAS: 4744-08-5 Molecular Formula: C7H16O2 Molecular Weight (g/mol): 132.20 MDL Number: MFCD00009245 InChI Key: MBNMGGKBGCIEGF-UHFFFAOYSA-N Synonym: propionaldehyde diethyl acetal,propane, 1,1-diethoxy,propanaldiethylacetal,propionaldehyde, diethyl acetal,diethyl propional,propanal diethyl acetal,propionaldehyde diethylacetal,propane,1-diethoxy,propioaldehyde diethylacetal,propioaldehyde diethyl acetal PubChem CID: 20858 IUPAC Name: 1,1-diethoxypropane SMILES: CCC(OCC)OCC
| PubChem CID | 20858 |
|---|---|
| CAS | 4744-08-5 |
| Molecular Weight (g/mol) | 132.20 |
| MDL Number | MFCD00009245 |
| SMILES | CCC(OCC)OCC |
| Synonym | propionaldehyde diethyl acetal,propane, 1,1-diethoxy,propanaldiethylacetal,propionaldehyde, diethyl acetal,diethyl propional,propanal diethyl acetal,propionaldehyde diethylacetal,propane,1-diethoxy,propioaldehyde diethylacetal,propioaldehyde diethyl acetal |
| IUPAC Name | 1,1-diethoxypropane |
| InChI Key | MBNMGGKBGCIEGF-UHFFFAOYSA-N |
| Molecular Formula | C7H16O2 |
4-(Hydroxymethyl)cyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 13380-84-2 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD10566907,MFCD01734677,MFCD10566906 InChI Key: VQMIUUBKKPIDBN-UHFFFAOYSA-N Synonym: 4-Carboxy-1-cyclohexanemethanol PubChem CID: 202819 IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid SMILES: OCC1CCC(CC1)C(O)=O
| PubChem CID | 202819 |
|---|---|
| CAS | 13380-84-2 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD10566907,MFCD01734677,MFCD10566906 |
| SMILES | OCC1CCC(CC1)C(O)=O |
| Synonym | 4-Carboxy-1-cyclohexanemethanol |
| IUPAC Name | 4-(hydroxymethyl)cyclohexane-1-carboxylic acid |
| InChI Key | VQMIUUBKKPIDBN-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |