| SpectraBase Spectrum ID |
5Jb3yQDXVoN |
| Name |
4-Fluoro-2-trifluoromethylbenzoic acid, 4-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.007069815 u |
| Formula |
C14H7ClF4O2 |
| InChI |
InChI=1S/C14H7ClF4O2/c15-8-1-4-10(5-2-8)21-13(20)11-6-3-9(16)7-12(11)14(17,18)19/h1-7H |
| InChIKey |
MVDVSKJNFMHYJM-UHFFFAOYSA-N |
| Molecular Weight |
318.655 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=C(C(F)(F)F)C=C(F)C=C1)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83296 |
