| SpectraBase Spectrum ID |
HovRcdJB8Rk |
| Name |
(7-Bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E][1,4]diazepin-1-yl)-acetic acid isopropylidene-hydrazide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.069138866 u |
| Formula |
C20H19BrN4O2 |
| InChI |
InChI=1S/C20H19BrN4O2/c1-13(2)23-24-18(26)12-25-17-9-8-15(21)10-16(17)20(22-11-19(25)27)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,24,26) |
| InChIKey |
BDQJAGMTUHCTBI-UHFFFAOYSA-N |
| Molecular Weight |
427.302 g/mol |
| SMILES |
C1=2N(C(CN=C(C2C=C(Br)C=C1)C1=CC=CC=C1)=O)CC(NN=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85756 |
![(7-Bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E][1,4]diazepin-1-yl)-acetic acid isopropylidene-hydrazide](/api/spectrum/HovRcdJB8Rk/structure.png?h=300&w=458 "(7-Bromo-2-oxo-5-phenyl-2,3-dihydro-benzo[E][1,4]diazepin-1-yl)-acetic acid isopropylidene-hydrazide")
