| SpectraBase Compound ID | 6CMGfKFerhV |
|---|---|
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)10-18-12(17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | SPSFOSXYJUHHKE-UHFFFAOYSA-N |
| Mol Weight | 260.26 g/mol |
| Molecular Formula | C13H15F3O2 |
| Exact Mass | 260.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9dODKKVXBE8 |
|---|---|
| Name | 5-Phenylpentanoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.102414210 u |
| Formula | C13H15F3O2 |
| InChI | InChI=1S/C13H15F3O2/c14-13(15,16)10-18-12(17)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | SPSFOSXYJUHHKE-UHFFFAOYSA-N |
| Molecular Weight | 260.256 g/mol |
| SMILES | C1=CC(=CC=C1)CCCCC(=O)OCC(F)(F)F |