| SpectraBase Spectrum ID |
f1u8OA3ksT |
| Name |
7-Bromo-5-(2-chloro-phenyl)-3-diethylamino-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 |
419.040002943 u |
| Formula |
C19H19BrClN3O |
| InChI |
InChI=1S/C19H19BrClN3O/c1-3-24(4-2)18-19(25)22-16-10-9-12(20)11-14(16)17(23-18)13-7-5-6-8-15(13)21/h5-11,18H,3-4H2,1-2H3,(H,22,25) |
| InChIKey |
ASYJBJMOXBMCPX-UHFFFAOYSA-N |
| Molecular Weight |
420.738 g/mol |
| SMILES |
C1(=NC(C(=O)NC2=C1C=C(Br)C=C2)N(CC)CC)C1=C(Cl)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817187 |
![7-Bromo-5-(2-chloro-phenyl)-3-diethylamino-1,3-dihydro-benzo[E][1,4]diazepin- 2-one](/api/spectrum/f1u8OA3ksT/structure.png?h=300&w=458 "7-Bromo-5-(2-chloro-phenyl)-3-diethylamino-1,3-dihydro-benzo[E][1,4]diazepin- 2-one")
