| SpectraBase Spectrum ID |
5Xdy0hTkShq |
| Name |
2-Amino-5-(4-amino-2-nitrophenyl)tropone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.080041223 u |
| Formula |
C13H11N3O3 |
| InChI |
InChI=1S/C13H11N3O3/c14-9-3-4-10(12(7-9)16(18)19)8-1-5-11(15)13(17)6-2-8/h1-7H,14H2,(H2,15,17) |
| InChIKey |
VVQQEKYXRIXBOQ-UHFFFAOYSA-N |
| Molecular Weight |
257.249 g/mol |
| SMILES |
C=1(N(=O)=O)C(C2=CC=C(N)C(C=C2)=O)=CC=C(C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814262 |
