| SpectraBase Spectrum ID |
JBAqGRzlk9a |
| Name |
2-(Hydroxybenzyl)-3-phenylthio-2-sulfolene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.054086720 u |
| Formula |
C17H16O3S2 |
| InChI |
InChI=1S/C17H16O3S2/c18-16(13-7-3-1-4-8-13)17-15(11-12-22(17,19)20)21-14-9-5-2-6-10-14/h1-10,16,18H,11-12H2 |
| InChIKey |
HQYGXDVSRLAKQP-UHFFFAOYSA-N |
| Molecular Weight |
332.432 g/mol |
| SMILES |
C=1(S(CCC1SC1=CC=CC=C1)(=O)=O)C(C1=CC=CC=C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955963 |
