| SpectraBase Spectrum ID |
1Br3pcHocS5 |
| Name |
3-Trifluoromethylbenzoic acid, 2-propylphenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.102414210 u |
| Formula |
C17H15F3O2 |
| InChI |
InChI=1S/C17H15F3O2/c1-2-6-12-7-3-4-10-15(12)22-16(21)13-8-5-9-14(11-13)17(18,19)20/h3-5,7-11H,2,6H2,1H3 |
| InChIKey |
XFRZCFLQFNLQLX-UHFFFAOYSA-N |
| Molecular Weight |
308.300 g/mol |
| SMILES |
C1=CC(=CC(=C1)C(=O)OC1=CC=CC=C1CCC)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.805911 |
