| SpectraBase Spectrum ID |
EkNfw8DNLhO |
| Name |
5-Benzyl-1,5-dihydro-4-phenyl-2H-1,5-benzodiazepine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.119069762 u |
| Formula |
C22H18N2S |
| InChI |
InChI=1S/C22H18N2S/c25-22-15-21(18-11-5-2-6-12-18)24(16-17-9-3-1-4-10-17)20-14-8-7-13-19(20)23-22/h1-15H,16H2,(H,23,25) |
| InChIKey |
JREBIONTLIKSBR-UHFFFAOYSA-N |
| Molecular Weight |
342.460 g/mol |
| SMILES |
N1C(C=C(N(C=2C=CC=CC12)CC=1C=CC=CC1)C=1C=CC=CC1)=S |
| Spectrum/Structure Validation Score (Raman) |
0.928248 |
