| SpectraBase Spectrum ID |
9zQUPKkfE2x |
| Name |
(1rs,2sr,4sr,5sr)-Ethyl 2-hydroxy-4-methoxy-5-methyl-2-phenylcyclohexanecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.167459249 u |
| Formula |
C17H24O4 |
| InChI |
InChI=1S/C17H24O4/c1-4-21-16(18)14-10-12(2)15(20-3)11-17(14,19)13-8-6-5-7-9-13/h5-9,12,14-15,19H,4,10-11H2,1-3H3/t12-,14-,15-,17+/m0/s1 |
| InChIKey |
TYSNEORXKXAUDC-NZUILWFCSA-N |
| SMILES |
[C@]1([C@@](C[C@@]([C@](C1)(C)[H])(OC)[H])(C1=CC=CC=C1)O)(C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842027 |
