| SpectraBase Spectrum ID |
LI2GfjVEUQd |
| Name |
2-Ethylsulfanyl-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 |
312.075490871 u |
| Formula |
C17H16N2S2 |
| InChI |
InChI=1S/C17H16N2S2/c1-2-21-17-18-15-11-7-6-8-13(15)12-16(20)19(17)14-9-4-3-5-10-14/h3-11H,2,12H2,1H3 |
| InChIKey |
BJDIMRYHRHXJLK-UHFFFAOYSA-N |
| Molecular Weight |
312.449 g/mol |
| SMILES |
C=1(N(C(CC2=CC=CC=C2N1)=S)C1=CC=CC=C1)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809288 |
