| SpectraBase Spectrum ID |
LoZrEr5DX3L |
| Name |
2-Methylsulfanyl-3-phenyl-3H-4,5-dihydro-1,3-benzodiazepine-4-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.059840807 u |
| Formula |
C16H14N2S2 |
| InChI |
InChI=1S/C16H14N2S2/c1-20-16-17-14-10-6-5-7-12(14)11-15(19)18(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3 |
| InChIKey |
BRKLILIOYJIYLL-UHFFFAOYSA-N |
| SMILES |
C=1(N(C(CC2=CC=CC=C2N1)=S)C1=CC=CC=C1)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852828 |
