| SpectraBase Spectrum ID |
9Q95PdV2noa |
| Name |
o-(2,4,6-Trinitroanilino)phenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.039298607 u |
| Formula |
C12H8N4O7 |
| InChI |
InChI=1S/C12H8N4O7/c17-11-4-2-1-3-8(11)13-12-9(15(20)21)5-7(14(18)19)6-10(12)16(22)23/h1-6,13,17H |
| InChIKey |
SZULRCKZZUDMGB-UHFFFAOYSA-N |
| Molecular Weight |
320.217 g/mol |
| SMILES |
N(C1=CC=CC=C1O)C=1C(=CC(=CC1N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.872535 |
