| SpectraBase Spectrum ID |
1UMvVJmLi9 |
| Name |
2,4-Difluorobenzoic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.034314031 u |
| Formula |
C13H7F2NO4 |
| InChI |
InChI=1S/C13H7F2NO4/c14-8-1-6-11(12(15)7-8)13(17)20-10-4-2-9(3-5-10)16(18)19/h1-7H |
| InChIKey |
TWUFFCGNKVCYCF-UHFFFAOYSA-N |
| Molecular Weight |
279.199 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=C(C=C(F)C=C1)F)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864407 |
