| SpectraBase Spectrum ID |
3cvJnPBaBWN |
| Name |
Benzoic acid, 2-fluoro-3,5-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.997513982 u |
| Formula |
C7H3FN2O6 |
| InChI |
InChI=1S/C7H3FN2O6/c8-6-4(7(11)12)1-3(9(13)14)2-5(6)10(15)16/h1-2H,(H,11,12) |
| InChIKey |
VJNLENXGKDEAMI-UHFFFAOYSA-N |
| Molecular Weight |
230.107 g/mol |
| SMILES |
C1=C(C(=C(C=C1N(=O)=O)N(=O)=O)F)C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829843 |
