| SpectraBase Compound ID | HxB4pjys2Ps |
|---|---|
| InChI | InChI=1S/C15H17F3O2/c1-10(11-6-2-3-7-11)20-14(19)12-8-4-5-9-13(12)15(16,17)18/h4-5,8-11H,2-3,6-7H2,1H3 |
| InChIKey | KMINDQMGQNEPAL-UHFFFAOYSA-N |
| Mol Weight | 286.29 g/mol |
| Molecular Formula | C15H17F3O2 |
| Exact Mass | 286.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | urgtSm243B |
|---|---|
| Name | 2-Trifluoromethylbenzoic acid, 1-cyclopentylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.118064274 u |
| Formula | C15H17F3O2 |
| InChI | InChI=1S/C15H17F3O2/c1-10(11-6-2-3-7-11)20-14(19)12-8-4-5-9-13(12)15(16,17)18/h4-5,8-11H,2-3,6-7H2,1H3 |
| InChIKey | KMINDQMGQNEPAL-UHFFFAOYSA-N |
| Molecular Weight | 286.294 g/mol |
| SMILES | C1C(CCC1)C(OC(C=1C(=CC=CC1)C(F)(F)F)=O)C |