| SpectraBase Spectrum ID |
haqYiBoat6 |
| Name |
(E)-2-Octenethioic acid S-phenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.107836373 u |
| Formula |
C14H18OS |
| InChI |
InChI=1S/C14H18OS/c1-2-3-4-5-9-12-14(15)16-13-10-7-6-8-11-13/h6-12H,2-5H2,1H3/b12-9+ |
| InChIKey |
NXDGVSOCQNJWEN-FMIVXFBMSA-N |
| Molecular Weight |
234.357 g/mol |
| SMILES |
C(SC=1C=CC=CC1)(\C=C\CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955847 |
