| SpectraBase Spectrum ID |
6zMmcedfrxK |
| Name |
(Z,5S,6S)-6-Hydroxy-5-methyl-6-phenyl-3-hexenoic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.141244501 u |
| Formula |
C15H20O3 |
| InChI |
InChI=1S/C15H20O3/c1-3-18-14(16)11-7-8-12(2)15(17)13-9-5-4-6-10-13/h4-10,12,15,17H,3,11H2,1-2H3/b8-7-/t12-,15-/m0/s1 |
| InChIKey |
FPTNYQRSSCQYSK-GUQCVNHZSA-N |
| Molecular Weight |
248.322 g/mol |
| SMILES |
C(=O)(OCC)C\C=C/[C@@]([C@@](C1=CC=CC=C1)(O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872513 |
