| SpectraBase Spectrum ID |
DEpBMnbM0Zh |
| Name |
7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.100776669 u |
| Formula |
C15H13N3O2 |
| InChI |
InChI=1S/C15H13N3O2/c19-18(20)12-6-7-14-13(10-12)15(17-9-8-16-14)11-4-2-1-3-5-11/h1-7,10,16H,8-9H2 |
| InChIKey |
AOQMKLMZECLOEZ-UHFFFAOYSA-N |
| Molecular Weight |
267.288 g/mol |
| SMILES |
C1(N(=O)=O)=CC2=C(C=C1)NCCN=C2C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920807 |
