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Acetic acid (1R,2S,3S,4S)-3-cyano-4-isopropyl-1-methyl-2-(3-oxo-butyl)-cyclohexyl ester
SpectraBase Compound ID G9SyGM0oj0c
InChI InChI=1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15-,16-,17+/m0/s1
InChIKey OETYWDPXRCDDQP-LUKYLMHMSA-N
Mol Weight 293.41 g/mol
Molecular Formula C17H27NO3
Exact Mass 293.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4ER6UNPwxE
Name Acetic acid (1R,2S,3S,4S)-3-cyano-4-isopropyl-1-methyl-2-(3-oxo-butyl)-cyclohexyl ester
Alternate Name(s) (2S,3S,6R,7S)-3-Methyl-3-acetoxy-2-(3'-oxobutyl)-6-(1''-methylethyl)cyclohexane-1-carbonitrile 3-Methyl-3-acetoxy-2-(3'-oxobutyl)-6-(1''-methylethyl)cyclohexane-1-carbonitrile Acetic acid[3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl]ester Acetic acid[3-cyano-4-isopropyl-2-(3-ketobutyl)-1-methyl-cyclohexyl]ester [3-cyano-1-methyl-2-(3-oxidanylidenebutyl)-4-propan-2-yl-cyclohexyl]ethanoate [3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl]acetate [3-cyano-4-isopropyl-1-methyl-2-(3-oxobutyl)cyclohexyl]acetate Acetic acid [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] ester [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-ylcyclohexyl] acetate [(1R,2S,3S,4S)-3-cyano-4-isopropyl-1-methyl-2-(3-oxobutyl)cyclohexyl] acetate [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxidanylidenebutyl)-4-propan-2-yl-cyclohexyl] ethanoate
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Formula C17H27NO3
InChI InChI=1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15-,16-,17+/m0/s1
InChIKey OETYWDPXRCDDQP-LUKYLMHMSA-N
Molecular Weight 293.407 g/mol
SMILES [C@]1([C@]([C@]([C@](C(C)C)(CC1)[H])(C#N)[H])(CCC(=O)C)[H])(OC(=O)C)C
SPLASH splash10-0006-9710000000-fa165f7dbf817bb08356
Source of Spectrum SK-20-2131-18
Wiley ID 851570