| SpectraBase Spectrum ID |
zapnZVZEqa |
| Name |
2,3,4-Trifluorobenzoic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
280.071114081 u |
| Formula |
C15H11F3O2 |
| InChI |
InChI=1S/C15H11F3O2/c16-12-7-6-11(13(17)14(12)18)15(19)20-9-8-10-4-2-1-3-5-10/h1-7H,8-9H2 |
| InChIKey |
KRBRPLWQFQCVHI-UHFFFAOYSA-N |
| Molecular Weight |
280.246 g/mol |
| SMILES |
C1(=CC=CC=C1)CCOC(C=1C=CC(F)=C(C1F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914998 |
