| SpectraBase Spectrum ID |
KieBoxCQkAW |
| Name |
(Phenylthio)acetic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.087100927 u |
| Formula |
C16H16O2S |
| InChI |
InChI=1S/C16H16O2S/c17-16(13-19-15-9-5-2-6-10-15)18-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2 |
| InChIKey |
MTUKAPTVYMHMMJ-UHFFFAOYSA-N |
| Molecular Weight |
272.362 g/mol |
| SMILES |
C1=CC=CC(=C1)SCC(OCCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904648 |
