| SpectraBase Spectrum ID |
QSPrJQrX5H |
| Name |
11H-Benzo[B][1,4]benzodiazepin-6-yl-(2-chlorophenyl)-methyl-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.103275227 u |
| Formula |
C20H16ClN3 |
| InChI |
InChI=1S/C20H16ClN3/c1-24(19-13-7-3-9-15(19)21)20-14-8-2-4-10-16(14)22-17-11-5-6-12-18(17)23-20/h2-13,22H,1H3 |
| InChIKey |
ZBMNADYWNKANCO-UHFFFAOYSA-N |
| Molecular Weight |
333.822 g/mol |
| SMILES |
C1(=NC2=C(C=CC=C2)NC2=C1C=CC=C2)N(C1=C(Cl)C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961739 |
![11H-benzo[b][1,4]benzodiazepin-6-yl-(2-chlorophenyl)-methyl-amine](/api/spectrum/QSPrJQrX5H/structure.png?h=300&w=458 "11H-benzo[b][1,4]benzodiazepin-6-yl-(2-chlorophenyl)-methyl-amine")
