| SpectraBase Spectrum ID |
DBvcVLF7FYW |
| Name |
m-(2,4,6-Trinitroanilino)benzoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.034213226 u |
| Formula |
C13H8N4O8 |
| InChI |
InChI=1S/C13H8N4O8/c18-13(19)7-2-1-3-8(4-7)14-12-10(16(22)23)5-9(15(20)21)6-11(12)17(24)25/h1-6,14H,(H,18,19) |
| InChIKey |
POECFHVTFLONRY-UHFFFAOYSA-N |
| Molecular Weight |
348.227 g/mol |
| SMILES |
N(=O)(=O)C1=CC(=CC(=C1NC1=CC(C(O)=O)=CC=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.975069 |
