| SpectraBase Spectrum ID |
KUyTFObOgCX |
| Name |
3,4-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/c14-11-6-1-8(7-12(11)15)13(17)20-10-4-2-9(3-5-10)16(18)19/h1-7H |
| InChIKey |
CAZMFRDZJIYGKM-UHFFFAOYSA-N |
| Molecular Weight |
279.199 g/mol |
| SMILES |
C1=C(C=C(C(=C1)F)F)C(=O)OC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9423 |
