| SpectraBase Spectrum ID |
D5uW32kUeFv |
| Name |
3-Benzylidene-2-(4-chlorophenyl)-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/c23-19-12-10-17(11-13-19)22-21(14-16-6-2-1-3-7-16)24-15-18-8-4-5-9-20(18)25-22/h1-15H/b21-14- |
| InChIKey |
KJYWQZJUUFPMFG-STZFKDTASA-N |
| Molecular Weight |
342.829 g/mol |
| SMILES |
C1(=NC=2C(C=N\C1=C\C=1C=CC=CC1)=CC=CC2)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817285 |
