| SpectraBase Spectrum ID |
610YQeHzMtK |
| Name |
1H-1,3,4-Benzotriazepine-3-carboxamide, 7-bromo-2,3-dihydro-2-oxo-N,5-diphenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.037838737 u |
| Formula |
C21H15BrN4O2 |
| InChI |
InChI=1S/C21H15BrN4O2/c22-15-11-12-18-17(13-15)19(14-7-3-1-4-8-14)25-26(21(28)24-18)20(27)23-16-9-5-2-6-10-16/h1-13H,(H,23,27)(H,24,28) |
| InChIKey |
SKYUUGCTSOBABY-UHFFFAOYSA-N |
| Molecular Weight |
435.281 g/mol |
| SMILES |
C1=2NC(N(N=C(C2C=C(C=C1)Br)C1=CC=CC=C1)C(NC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875047 |
