| SpectraBase Spectrum ID |
DFosHCYpNZ7 |
| Name |
2,4,5-Trifluoro-3-methoxybenzoic acid, 4-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.011406304 u |
| Formula |
C14H8ClF3O3 |
| InChI |
InChI=1S/C14H8ClF3O3/c1-20-13-11(17)9(6-10(16)12(13)18)14(19)21-8-4-2-7(15)3-5-8/h2-6H,1H3 |
| InChIKey |
KWOJHFPOKLTYKN-UHFFFAOYSA-N |
| Molecular Weight |
316.663 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=C(C(=C(F)C(=C1)F)OC)F)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944575 |
