| SpectraBase Spectrum ID |
5Q2ENOqtZuW |
| Name |
Thiazole, 4,5-dihydro-5-(methylthio)-2,4,4-triphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.095891964 u |
| Formula |
C22H19NS2 |
| InChI |
InChI=1S/C22H19NS2/c1-24-21-22(18-13-7-3-8-14-18,19-15-9-4-10-16-19)23-20(25-21)17-11-5-2-6-12-17/h2-16,21H,1H3 |
| InChIKey |
ZRNDUWDSVQPPKO-UHFFFAOYSA-N |
| Molecular Weight |
361.521 g/mol |
| SMILES |
C1(=NC(C(S1)SC)(C=1C=CC=CC1)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894607 |
