| SpectraBase Spectrum ID |
8AD7tuQJQjQ |
| Name |
(2E)-2-p-Anisoylpenta-2,4-dienethioic acid S-methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.066365482 u |
| Formula |
C14H14O3S |
| InChI |
InChI=1S/C14H14O3S/c1-4-5-12(14(16)18-3)13(15)10-6-8-11(17-2)9-7-10/h4-9H,1H2,2-3H3/b12-5+ |
| InChIKey |
RBMUFWNBCLQLKA-LFYBBSHMSA-N |
| SMILES |
C(\C(C(=O)SC)=C/C=C)(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931284 |
