| SpectraBase Spectrum ID |
9xkvmRxY5aM |
| Name |
7-Chloro-5-phenyl-4-phenylacetyl-1,3,4,5-tetrahydro-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 |
390.113505558 u |
| Formula |
C23H19ClN2O2 |
| InChI |
InChI=1S/C23H19ClN2O2/c24-18-11-12-20-19(14-18)23(17-9-5-2-6-10-17)26(15-21(27)25-20)22(28)13-16-7-3-1-4-8-16/h1-12,14,23H,13,15H2,(H,25,27) |
| InChIKey |
GJLIRQQHYJBJAZ-UHFFFAOYSA-N |
| Molecular Weight |
390.870 g/mol |
| SMILES |
C1=CC=C(C=C1)CC(N1C(C2=C(C=CC(=C2)Cl)NC(C1)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973307 |
![7-Chloro-5-phenyl-4-phenylacetyl-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one](/api/spectrum/9xkvmRxY5aM/structure.png?h=300&w=458 "7-Chloro-5-phenyl-4-phenylacetyl-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one")
