| SpectraBase Spectrum ID |
55G88eon8vR |
| Name |
2,3,4-Trifluorobenzoic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.024892162 u |
| Formula |
C13H6F3NO4 |
| InChI |
InChI=1S/C13H6F3NO4/c14-10-6-5-9(11(15)12(10)16)13(18)21-8-3-1-7(2-4-8)17(19)20/h1-6H |
| InChIKey |
OPQLVJSJHKXARH-UHFFFAOYSA-N |
| Molecular Weight |
297.189 g/mol |
| SMILES |
C1=C(C(=C(C(=C1)C(OC1=CC=C(C=C1)N(=O)=O)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937069 |
