| SpectraBase Spectrum ID |
3xRPsuN0XND |
| Name |
5-(4-Chloranyl-3-nitro-phenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.026147101 u |
| Formula |
C15H9ClN4O5 |
| InChI |
InChI=1S/C15H9ClN4O5/c16-11-3-1-8(5-13(11)20(24)25)15-10-6-9(19(22)23)2-4-12(10)18-14(21)7-17-15/h1-6H,7H2,(H,18,21) |
| InChIKey |
AWYYDACVDQJSHU-UHFFFAOYSA-N |
| Molecular Weight |
360.713 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C=2C=3C(NC(CN2)=O)=CC=C(N(=O)=O)C3)=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831394 |
