| SpectraBase Spectrum ID |
iq78yL3v8Y |
| Name |
p-(2-Chloro-1,1,2-trifluoroethoxy)benzoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.011406304 u |
| Formula |
C10H8ClF3O3 |
| InChI |
InChI=1S/C10H8ClF3O3/c1-16-8(15)6-2-4-7(5-3-6)17-10(13,14)9(11)12/h2-5,9H,1H3 |
| InChIKey |
SFCNJUSRCUKGAU-UHFFFAOYSA-N |
| Molecular Weight |
268.619 g/mol |
| SMILES |
C(F)(F)(OC1=CC=C(C=C1)C(OC)=O)C(F)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.867489 |
