| SpectraBase Spectrum ID |
BtmDmpXD5qF |
| Name |
2(1H)-Pyridinethione, 3-(hydroxymethyl)-1-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.056135151 u |
| Formula |
C12H11NOS |
| InChI |
InChI=1S/C12H11NOS/c14-9-10-5-4-8-13(12(10)15)11-6-2-1-3-7-11/h1-8,14H,9H2 |
| InChIKey |
YYRHRXBEDHOTEM-UHFFFAOYSA-N |
| Molecular Weight |
217.286 g/mol |
| SMILES |
C1(N(C=CC=C1CO)C=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877535 |
