| SpectraBase Spectrum ID |
HG3czs4kybK |
| Name |
3-(4-Chlorobenzylidene)-2-phenyl-3H-1,4-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.092376191 u |
| Formula |
C22H15ClN2 |
| InChI |
InChI=1S/C22H15ClN2/c23-19-12-10-16(11-13-19)14-21-22(17-6-2-1-3-7-17)25-20-9-5-4-8-18(20)15-24-21/h1-15H/b21-14- |
| InChIKey |
HSGYARWWAYEJKN-STZFKDTASA-N |
| Molecular Weight |
342.829 g/mol |
| SMILES |
C1(=NC=2C(C=N\C1=C\C1=CC=C(C=C1)Cl)=CC=CC2)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831043 |
