| SpectraBase Spectrum ID |
CaSb9hWv10b |
| Name |
5-(2-Chlorophenyl)-1-ethyl-7-nitro-1H-benzo[E][1,4]diazepin-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
343.072369020 u |
| Formula |
C17H14ClN3O3 |
| InChI |
InChI=1S/C17H14ClN3O3/c1-2-20-15-8-7-11(21(23)24)9-13(15)17(19-10-16(20)22)12-5-3-4-6-14(12)18/h3-9H,2,10H2,1H3 |
| InChIKey |
LAMQQCWFXPHHEV-UHFFFAOYSA-N |
| Molecular Weight |
343.770 g/mol |
| SMILES |
C1=2C(C3=C(C=CC=C3)Cl)=NCC(N(C1=CC=C(C2)[N+](=O)[O-])CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823201 |
![5-(2-Chlorophenyl)-1-ethyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one](/api/spectrum/CaSb9hWv10b/structure.png?h=300&w=458 "5-(2-Chlorophenyl)-1-ethyl-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one")
