| SpectraBase Spectrum ID |
1AII5qOk8c7 |
| Name |
(1R,2S,5S)-2-Hydroxy-5-methyl-4-oxo-2-phenyl-cyclohexanecarboxylic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O4 |
| InChI |
InChI=1S/C16H20O4/c1-3-20-15(18)13-9-11(2)14(17)10-16(13,19)12-7-5-4-6-8-12/h4-8,11,13,19H,3,9-10H2,1-2H3/t11-,13-,16+/m0/s1 |
| InChIKey |
PTBJREIQDTVAPH-DETPVDSQSA-N |
| Molecular Weight |
276.332 g/mol |
| SMILES |
O[C@@]1([C@@](C[C@@](C(=O)C1)(C)[H])(C(=O)OCC)[H])c1ccccc1 |
| SPLASH |
splash10-004i-9000000000-ccb518c66b3339723662 |
| Source of Spectrum |
KC-1993-1498-12 |
| Synonyms |
(1RS,2SR,5SR)-Ethyl 2-hydroxy-5-methyl-4-oxo-2-phenylcyclohexanecarboxylate
ethyl (1R,2S,5S)-2-hydroxy-5-methyl-4-oxo-2-phenylcyclohexanecarboxylate |
| Wiley ID |
778190 |
