| SpectraBase Spectrum ID |
ByROTPid5Ds |
| Name |
7-Bromo-3-methyl-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 |
328.021126046 u |
| Formula |
C16H13BrN2O |
| InChI |
InChI=1S/C16H13BrN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20) |
| InChIKey |
GAONFNHSQRTFJA-UHFFFAOYSA-N |
| Molecular Weight |
329.197 g/mol |
| SMILES |
C1(=NC(C(NC2=C1C=C(C=C2)Br)=O)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897128 |
![7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one](/api/spectrum/ByROTPid5Ds/structure.png?h=300&w=458 "7-Bromo-3-methyl-5-phenyl-1,3-dihydro-benzo[E][1,4]diazepin-2-one")
