| SpectraBase Compound ID | D7adTIwPV1T |
|---|---|
| InChI | InChI=1S/C14H17F3O2/c1-10(2)4-3-9-19-13(18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | HJHBXYBOHZSBBO-UHFFFAOYSA-N |
| Mol Weight | 274.28 g/mol |
| Molecular Formula | C14H17F3O2 |
| Exact Mass | 274.118064 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 | E2k1qkv1088 |
|---|---|
| Name | 4-Trifluoromethylbenzoic acid, 4-methylpentyl 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/c1-10(2)4-3-9-19-13(18)11-5-7-12(8-6-11)14(15,16)17/h5-8,10H,3-4,9H2,1-2H3 |
| InChIKey | HJHBXYBOHZSBBO-UHFFFAOYSA-N |
| Molecular Weight | 274.283 g/mol |
| SMILES | CC(C)CCCOC(=O)C1=CC=C(C(F)(F)F)C=C1 |