| SpectraBase Spectrum ID |
GnAsAnGolSS |
| Name |
1H-Benz[B]1,4-diazepine, 2,3-dihydro-4-methyl-2-(4-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.116426733 u |
| Formula |
C16H15N3O2 |
| InChI |
InChI=1S/C16H15N3O2/c1-11-10-16(12-6-8-13(9-7-12)19(20)21)18-15-5-3-2-4-14(15)17-11/h2-9,16,18H,10H2,1H3 |
| InChIKey |
XLFQNPCGOFVDPM-UHFFFAOYSA-N |
| SMILES |
C1=CC=C2NC(C=3C=CC(N(=O)=O)=CC3)CC(C)=NC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912216 |
![1H-Benz[b]1,4-diazepine, 2,3-dihydro-4-methyl-2-(4-nitrophenyl)-](/api/spectrum/GnAsAnGolSS/structure.png?h=300&w=458 "1H-Benz[b]1,4-diazepine, 2,3-dihydro-4-methyl-2-(4-nitrophenyl)-")
