| SpectraBase Spectrum ID |
1o4b4ewEyPd |
| Name |
2,3,4-Trifluorobenzoic acid, isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.055464017 u |
| Formula |
C10H9F3O2 |
| InChI |
InChI=1S/C10H9F3O2/c1-5(2)15-10(14)6-3-4-7(11)9(13)8(6)12/h3-5H,1-2H3 |
| InChIKey |
FGSBQLOXXWUOKR-UHFFFAOYSA-N |
| Molecular Weight |
218.175 g/mol |
| SMILES |
C1=CC(C(OC(C)C)=O)=C(C(=C1F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813986 |
