Alpha beta-unsaturated carbonyl compounds

Organic compounds consisting of an alkene (carbon - carbon double bond) adjacent to a ketone functional group; also known as an enone.

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Methacrolein (stabilized with HQ) 90.0+%, TCI America™

CAS: 78-85-3 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00006974 InChI Key: STNJBCKSHOAVAJ-UHFFFAOYSA-N Synonym: methacrolein,methacrylaldehyde,2-propenal, 2-methyl,isobutenal,2-methylacrolein,2-methylpropenal,2-methyl-2-propenal,methylacrylaldehyde,2-methylenepropanal,methacrylic aldehyde PubChem CID: 6562 IUPAC Name: 2-methylprop-2-enal SMILES: CC(=C)C=O

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PubChem CID	6562
CAS	78-85-3
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00006974
SMILES	CC(=C)C=O
Synonym	methacrolein,methacrylaldehyde,2-propenal, 2-methyl,isobutenal,2-methylacrolein,2-methylpropenal,2-methyl-2-propenal,methylacrylaldehyde,2-methylenepropanal,methacrylic aldehyde
IUPAC Name	2-methylprop-2-enal
InChI Key	STNJBCKSHOAVAJ-UHFFFAOYSA-N
Molecular Formula	C4H6O

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beta-Ionone, 96%, synthetic

CAS: 14901-07-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C

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PubChem CID	638014
CAS	14901-07-6
Molecular Weight (g/mol)	192.30
ChEBI	CHEBI:32325
MDL Number	MFCD00001549
SMILES	CC(=O)\C=C\C1=C(C)CCCC1(C)C
Synonym	beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone
IUPAC Name	(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI Key	PSQYTAPXSHCGMF-BQYQJAHWSA-N
Molecular Formula	C13H20O

Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)zirconium(IV), 99.9%, Thermo Scientific™

CAS: 18865-74-2 Molecular Formula: C44H80O8Zr Molecular Weight (g/mol): 828.34 MDL Number: MFCD00145380,MFCD00145380 InChI Key: ANBXKEDJQLYCLX-UHFFFAOYSA-N Synonym: tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one PubChem CID: 50919870 IUPAC Name: 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium SMILES: [Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C

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PubChem CID	50919870
CAS	18865-74-2
Molecular Weight (g/mol)	828.34
MDL Number	MFCD00145380,MFCD00145380
SMILES	[Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C
Synonym	tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one
IUPAC Name	5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium
InChI Key	ANBXKEDJQLYCLX-UHFFFAOYSA-N
Molecular Formula	C44H80O8Zr

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trans-2-Pentenal, 97%

CAS: 1576-87-0 Molecular Formula: C₅H₈O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00009615 InChI Key: DTCCTIQRPGSLPT-ONEGZZNKSA-N Synonym: trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al PubChem CID: 5364752 IUPAC Name: (E)-pent-2-enal SMILES: CCC=CC=O

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PubChem CID	5364752
CAS	1576-87-0
Molecular Weight (g/mol)	84.12
MDL Number	MFCD00009615
SMILES	CCC=CC=O
Synonym	trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al
IUPAC Name	(E)-pent-2-enal
InChI Key	DTCCTIQRPGSLPT-ONEGZZNKSA-N
Molecular Formula	C₅H₈O

Iron(III) 1,1,1-trifluoro 2,4-pentanedionate

CAS: 14526-22-8 Molecular Formula: C15H12F9FeO6 Molecular Weight (g/mol): 515.09 MDL Number: MFCD00017760 InChI Key: PDLKINIVWBCDRU-UHFFFAOYSA-N Synonym: ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate PubChem CID: 71299627 SMILES: [Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F

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PubChem CID	71299627
CAS	14526-22-8
Molecular Weight (g/mol)	515.09
MDL Number	MFCD00017760
SMILES	[Fe+3].CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F.CC(=O)[CH-]C(=O)C(F)(F)F
Synonym	ferric iron 1,1,1-trifluoro-4-oxopent-2-en-2-olate
InChI Key	PDLKINIVWBCDRU-UHFFFAOYSA-N
Molecular Formula	C15H12F9FeO6

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trans-2-Pentenal, 96%

CAS: 1576-87-0 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009615 InChI Key: DTCCTIQRPGSLPT-ONEGZZNKSA-N Synonym: trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al PubChem CID: 5364752 IUPAC Name: (E)-pent-2-enal SMILES: CCC=CC=O

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PubChem CID	5364752
CAS	1576-87-0
Molecular Weight (g/mol)	84.118
MDL Number	MFCD00009615
SMILES	CCC=CC=O
Synonym	trans-2-pentenal,2-pentenal,e-2-pentenal,e-pent-2-enal,3-ethylacrolein,pent-2-enal,2-pentenal, e,2-e-pentenal,3-ethyl-2-propenal,e-pent-2-en-1-al
IUPAC Name	(E)-pent-2-enal
InChI Key	DTCCTIQRPGSLPT-ONEGZZNKSA-N
Molecular Formula	C5H8O

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Methyl vinyl ketone, tech. 90%, stab.

CAS: 78-94-4 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00008777 InChI Key: FUSUHKVFWTUUBE-UHFFFAOYSA-N Synonym: methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone PubChem CID: 6570 ChEBI: CHEBI:48058 IUPAC Name: but-3-en-2-one SMILES: CC(=O)C=C

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PubChem CID	6570
CAS	78-94-4
Molecular Weight (g/mol)	70.09
ChEBI	CHEBI:48058
MDL Number	MFCD00008777
SMILES	CC(=O)C=C
Synonym	methyl vinyl ketone,3-buten-2-one,butenone,methylvinylketon,vinyl methyl ketone,methylene acetone,2-butenone,acetyl ethylene,3-butene-2-one,methyl ethenyl ketone
IUPAC Name	but-3-en-2-one
InChI Key	FUSUHKVFWTUUBE-UHFFFAOYSA-N
Molecular Formula	C4H6O

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2-Methyl-3-butyn-2-ol, 98%

CAS: 115-19-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00004467 InChI Key: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonym: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol PubChem CID: 8258 IUPAC Name: 2-methylbut-3-yn-2-ol SMILES: CC(C)(C#C)O

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PubChem CID	8258
CAS	115-19-5
Molecular Weight (g/mol)	84.118
MDL Number	MFCD00004467
SMILES	CC(C)(C#C)O
Synonym	2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol
IUPAC Name	2-methylbut-3-yn-2-ol
InChI Key	CEBKHWWANWSNTI-UHFFFAOYSA-N
Molecular Formula	C5H8O

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Mesityl oxide, 99%, mixture of alpha- and beta-isomers

CAS: 141-79-7 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C

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PubChem CID	8858
CAS	141-79-7
Molecular Weight (g/mol)	98.14
SMILES	CC(=CC(=O)C)C
Synonym	mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone
IUPAC Name	4-methylpent-3-en-2-one
InChI Key	SHOJXDKTYKFBRD-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O

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PubChem CID	6562
CAS	78-85-3
Molecular Weight (g/mol)	70.09
MDL Number	MFCD00006974
SMILES	CC(=C)C=O
Synonym	methacrolein,methacrylaldehyde,2-propenal, 2-methyl,isobutenal,2-methylacrolein,2-methylpropenal,2-methyl-2-propenal,methylacrylaldehyde,2-methylenepropanal,methacrylic aldehyde
IUPAC Name	2-methylprop-2-enal
InChI Key	STNJBCKSHOAVAJ-UHFFFAOYSA-N
Molecular Formula	C4H6O

Zirconium(IV) 2,4-pentanedionate, Thermo Scientific Chemicals

CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: 4-hydroxypent-3-en-2-one;zirconium SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O

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PubChem CID	50912253
CAS	17501-44-9
Molecular Weight (g/mol)	487.66
MDL Number	MFCD00000036
SMILES	[Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
Synonym	4-hydroxypent-3-en-2-one; zirconium
IUPAC Name	4-hydroxypent-3-en-2-one;zirconium
InChI Key	DFPGFWYWSAYLCW-UHFFFAOYSA-N
Molecular Formula	C20H28O8Zr

Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)europium(III)

CAS: 17631-68-4 Molecular Formula: C30H33EuF21O6 Molecular Weight (g/mol): 1040.52 MDL Number: MFCD00064655,MFCD01074933 InChI Key: UDXLMYFGTHAWDC-UHFFFAOYSA-N Synonym: eu fod 3,sievers' reagent,europium-fod,siever's reagent,tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato europium iii,resolve-al tm eufod,chloride ionophore vii,tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato europium,europium iii-tris 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate PubChem CID: 6000041 IUPAC Name: europium;(Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one SMILES: [Eu].CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F

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PubChem CID	6000041
CAS	17631-68-4
Molecular Weight (g/mol)	1040.52
MDL Number	MFCD00064655,MFCD01074933
SMILES	[Eu].CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F
Synonym	eu fod 3,sievers' reagent,europium-fod,siever's reagent,tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato europium iii,resolve-al tm eufod,chloride ionophore vii,tris 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato europium,europium iii-tris 1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octanedionate
IUPAC Name	europium;(Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
InChI Key	UDXLMYFGTHAWDC-UHFFFAOYSA-N
Molecular Formula	C30H33EuF21O6

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)iron(III), recrystallized, 99.9% (metals basis)

CAS: 14876-47-2 Molecular Formula: C33H60FeO6 Molecular Weight (g/mol): 608.682 MDL Number: MFCD00067465 InChI Key: WLITYJBILWOYFF-QFVJJVGWSA-N Synonym: fe tmhd 3 PubChem CID: 15251600 IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iron SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Fe]

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PubChem CID	15251600
CAS	14876-47-2
Molecular Weight (g/mol)	608.682
MDL Number	MFCD00067465
SMILES	CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Fe]
Synonym	fe tmhd 3
IUPAC Name	(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iron
InChI Key	WLITYJBILWOYFF-QFVJJVGWSA-N
Molecular Formula	C33H60FeO6

Hafnium(IV) 2,4-pentanedionate, 97%

CAS: 17475-67-1 Molecular Formula: C20H28HfO8 Molecular Weight (g/mol): 574.92 MDL Number: MFCD00044997 InChI Key: GXNMJQUZCICHBX-UHFFFAOYSA-N Synonym: hafnium iv acetylacetonate,hafnium-2,4-pentanedionate,hafnium; z-4-hydroxypent-3-en-2-one,3z-4-tris 2z-4-oxopent-2-en-2-yl oxy hafnio oxy pent-3-en-2-one PubChem CID: 11330624 IUPAC Name: hafnium;(Z)-4-hydroxypent-3-en-2-one SMILES: [Hf+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O

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Specifications

PubChem CID	11330624
CAS	17475-67-1
Molecular Weight (g/mol)	574.92
MDL Number	MFCD00044997
SMILES	[Hf+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
Synonym	hafnium iv acetylacetonate,hafnium-2,4-pentanedionate,hafnium; z-4-hydroxypent-3-en-2-one,3z-4-tris 2z-4-oxopent-2-en-2-yl oxy hafnio oxy pent-3-en-2-one
IUPAC Name	hafnium;(Z)-4-hydroxypent-3-en-2-one
InChI Key	GXNMJQUZCICHBX-UHFFFAOYSA-N
Molecular Formula	C20H28HfO8

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)terbium(III), 99%, Thermo Scientific Chemicals

CAS: 15492-51-0 Molecular Formula: C33H57O6Tb Molecular Weight (g/mol): 708.74 MDL Number: MFCD00064752 InChI Key: DIIXZXQKWUIOAN-UHFFFAOYSA-N Synonym: tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate PubChem CID: 133109942 SMILES: [Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

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Specifications

PubChem CID	133109942
CAS	15492-51-0
Molecular Weight (g/mol)	708.74
MDL Number	MFCD00064752
SMILES	[Tb+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym	tb tmhd 3,terbium iii tris 2,2,6,6-tetramethyl-3,5-heptanedionate
InChI Key	DIIXZXQKWUIOAN-UHFFFAOYSA-N
Molecular Formula	C33H57O6Tb

Alpha beta-unsaturated carbonyl compounds

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