| SpectraBase Spectrum ID |
ylOyuDtMXn |
| Name |
Benzenepropanoic acid, .beta.-(2-oxocyclohexyl)-, methyl ester, [S-(R*,S*)]- |
| Alternate Name(s) |
methyl (3R)-3-[(1S)-2-oxocyclohexyl]-3-phenylpropanoate
Methylester of (-)-(3R,1'S)-3-(2-oxocyclohexyl)-3-phenylpropanoic acid |
| CAS Registry Number |
86661-27-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-19-16(18)11-14(12-7-3-2-4-8-12)13-9-5-6-10-15(13)17/h2-4,7-8,13-14H,5-6,9-11H2,1H3/t13-,14-/m0/s1 |
| InChIKey |
CAJOHRQEVBMKGH-KBPBESRZSA-N |
| Molecular Weight |
260.333 g/mol |
| SMILES |
[C@@]([C@]1(C(=O)CCCC1)[H])(CC(=O)OC)(c1ccccc1)[H] |
| SPLASH |
splash10-01p9-0950000000-8a4022c3eea81f0bb9c5 |
| Source of Spectrum |
K-116-2257-0 |
| Wiley ID |
1263999 |
![Benzenepropanoic acid, .beta.-(2-oxocyclohexyl)-, methyl ester, [S-(R*,S*)]-](/api/spectrum/ylOyuDtMXn/structure.png?h=300&w=458 "Benzenepropanoic acid, .beta.-(2-oxocyclohexyl)-, methyl ester, [S-(R*,S*)]-")
