| SpectraBase Spectrum ID |
5Gkm2Yz2KtG |
| Name |
(1S,2S)-Ethyl 2-[2-(2-oxopropyl)cyclohexyl]ethanoate |
| Alternate Name(s) |
ethyl[(1S,2S)-2-(2-oxopropyl)cyclohexyl]acetate
trans-Ethyl 2-[2-(2-oxo-propyl)cyclohexyl]ethanoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H22O3 |
| InChI |
InChI=1S/C13H22O3/c1-3-16-13(15)9-12-7-5-4-6-11(12)8-10(2)14/h11-12H,3-9H2,1-2H3/t11-,12-/m0/s1 |
| InChIKey |
XLXYLDFKEIRGJS-RYUDHWBXSA-N |
| Molecular Weight |
226.316 g/mol |
| SMILES |
C(C[C@]1([C@](CC(=O)C)(CCCC1)[H])[H])(=O)OCC |
| SPLASH |
splash10-001i-0900000000-a08bb4eaa8ca37aae5ba |
| Source of Spectrum |
C-119-8785-33 |
| Wiley ID |
760622 |
![(1S,2S)-Ethyl 2-[2-(2-oxopropyl)cyclohexyl]ethanoate](/api/spectrum/5Gkm2Yz2KtG/structure.png?h=300&w=458 "(1S,2S)-Ethyl 2-[2-(2-oxopropyl)cyclohexyl]ethanoate")
