| SpectraBase Spectrum ID |
HQZkdfvRftq |
| Name |
1,4-Benzodiazepin-2(1H,3H)-one, 7-bromo-5-phenyl-3-(1H-2(3H)-oxo-3-indolylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.026939701 u |
| Formula |
C23H14BrN3O2 |
| InChI |
InChI=1S/C23H14BrN3O2/c24-14-10-11-18-16(12-14)20(13-6-2-1-3-7-13)27-21(23(29)26-18)19-15-8-4-5-9-17(15)25-22(19)28/h1-12H,(H,25,28)(H,26,29)/b21-19- |
| InChIKey |
HDNGXINQRIQKLW-VZCXRCSSSA-N |
| Molecular Weight |
444.288 g/mol |
| SMILES |
C1(\C(=C/2N=C(C3=CC(Br)=CC=C3NC2=O)C2=CC=CC=C2)C2=C(N1)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957538 |
