| SpectraBase Spectrum ID |
CW6mTPFodSI |
| Name |
Benzamide, 2-amino-3,5-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.033819304 u |
| Formula |
C7H6N4O5 |
| InChI |
InChI=1S/C7H6N4O5/c8-6-4(7(9)12)1-3(10(13)14)2-5(6)11(15)16/h1-2H,8H2,(H2,9,12) |
| InChIKey |
KTGYSUKUKPGPES-UHFFFAOYSA-N |
| Molecular Weight |
226.148 g/mol |
| SMILES |
C1(N(=O)=O)=C(C(C(=O)N)=CC(N(=O)=O)=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953231 |
