| SpectraBase Spectrum ID |
C4ER6UNPwxE |
| Name |
Acetic acid (1R,2S,3S,4S)-3-cyano-4-isopropyl-1-methyl-2-(3-oxo-butyl)-cyclohexyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Synonyms |
(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 |
| Wiley ID |
851570 |
