| SpectraBase Spectrum ID |
DT0hL1GgwE5 |
| Name |
7-Bromo-3-diethylamino-5-phenyl-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 |
385.078975275 u |
| Formula |
C19H20BrN3O |
| InChI |
InChI=1S/C19H20BrN3O/c1-3-23(4-2)18-19(24)21-16-11-10-14(20)12-15(16)17(22-18)13-8-6-5-7-9-13/h5-12,18H,3-4H2,1-2H3,(H,21,24) |
| InChIKey |
DQPMTKRQQJSWHY-UHFFFAOYSA-N |
| Molecular Weight |
386.293 g/mol |
| SMILES |
C1(=NC(C(NC2=C1C=C(C=C2)Br)=O)N(CC)CC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86176 |
![7-Bromo-3-diethylamino-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/DT0hL1GgwE5/structure.png?h=300&w=458 "7-Bromo-3-diethylamino-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
