SpectraBase Compound ID | CRbA7CLAw1b |
---|---|
InChI | InChI=1S/C14H17F3O2/c1-2-3-4-5-9-19-13(18)11-7-6-8-12(10-11)14(15,16)17/h6-8,10H,2-5,9H2,1H3 |
InChIKey | UZAHRNSFEYJOIY-UHFFFAOYSA-N |
Mol Weight | 274.28 g/mol |
Molecular Formula | C14H17F3O2 |
Exact Mass | 274.118064 g/mol |
SpectraBase Spectrum ID | D1ueZcbnqaw |
---|---|
Name | 3-Trifluoromethylbenzoic acid, hexyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 274.118064274 u |
Formula | C14H17F3O2 |
InChI | InChI=1S/C14H17F3O2/c1-2-3-4-5-9-19-13(18)11-7-6-8-12(10-11)14(15,16)17/h6-8,10H,2-5,9H2,1H3 |
InChIKey | UZAHRNSFEYJOIY-UHFFFAOYSA-N |
Molecular Weight | 274.283 g/mol |
SMILES | C1=CC(C(OCCCCCC)=O)=CC(=C1)C(F)(F)F |