| SpectraBase Spectrum ID |
LsWy9uAyHYf |
| Name |
7-Bromo-5-(2-chloro-phenyl)-3-methyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.982153713 u |
| Formula |
C16H12BrClN2O |
| InChI |
InChI=1S/C16H12BrClN2O/c1-9-16(21)20-14-7-6-10(17)8-12(14)15(19-9)11-4-2-3-5-13(11)18/h2-9H,1H3,(H,20,21) |
| InChIKey |
BDNYCYNGFJHZGR-UHFFFAOYSA-N |
| Molecular Weight |
363.642 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)C)C1=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895006 |
![7-Bromo-5-(2-chloro-phenyl)-3-methyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/LsWy9uAyHYf/structure.png?h=300&w=458 "7-Bromo-5-(2-chloro-phenyl)-3-methyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
