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(R)-3-((S)-2,2-Dimethyl-6-oxo-cyclohexyl)-butyric acid methyl ester
SpectraBase Compound ID 4ZDg5DaZSck
InChI InChI=1S/C13H22O3/c1-9(8-11(15)16-4)12-10(14)6-5-7-13(12,2)3/h9,12H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKey KFQVUJAPRGJZIG-SKDRFNHKSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO0n5Rbue0a
Name (R)-3-((S)-2,2-Dimethyl-6-oxo-cyclohexyl)-butyric acid methyl ester
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Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9(8-11(15)16-4)12-10(14)6-5-7-13(12,2)3/h9,12H,5-8H2,1-4H3/t9-,12+/m1/s1
InChIKey KFQVUJAPRGJZIG-SKDRFNHKSA-N
Molecular Weight 226.316 g/mol
SMILES [C@]1([C@@](CC(=O)OC)(C)[H])(C(CCCC1=O)(C)C)[H]
SPLASH splash10-0400-2900000000-2ffa6c40a658d133a76c
Source of Spectrum H-82-1022-18
Synonyms (R)-3-((R)-2,2-Dimethyl-6-oxo-cyclohexyl)-butyric acid methyl ester Methyl (3R)-3-[(1S)-2,2-dimethyl-6-oxocyclohexyl]butanoate Methyl 3-[2',2'-dimethyl-6'-oxocyclohexyl]-butanoate (3R)-3-[(1R)-2,2-dimethyl-6-oxocyclohexyl]butanoic acid methyl ester Methyl (3R)-3-[(1R)-2,2-dimethyl-6-oxocyclohexyl]butanoate Methyl (3R)-3-[(1R)-2,2-dimethyl-6-oxo-cyclohexyl]butanoate Methyl (3R)-3-[(1R)-2,2-dimethyl-6-oxidanylidene-cyclohexyl]butanoate
Wiley ID 815430