| SpectraBase Spectrum ID |
As2p8vjzBI8 |
| Name |
5-Fluoro-3-trifluoromethylbenzoic acid, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.124292470 u |
| Formula |
C15H18F4O2 |
| InChI |
InChI=1S/C15H18F4O2/c1-2-3-4-5-6-7-21-14(20)11-8-12(15(17,18)19)10-13(16)9-11/h8-10H,2-7H2,1H3 |
| InChIKey |
YTIWBGIMQXKGQQ-UHFFFAOYSA-N |
| Molecular Weight |
306.301 g/mol |
| SMILES |
C(COC(C1=CC(=CC(=C1)F)C(F)(F)F)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82129 |
