| SpectraBase Compound ID | HTJns7MUhie |
|---|---|
| InChI | InChI=1S/C16H21F3O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)15(20)21-12-16(17,18)19/h8-11H,2-7,12H2,1H3 |
| InChIKey | FHKBHFMDJYZQSM-UHFFFAOYSA-N |
| Mol Weight | 302.34 g/mol |
| Molecular Formula | C16H21F3O2 |
| Exact Mass | 302.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5cP6LRsY6he |
|---|---|
| Name | 4-Heptylbenzoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.149364403 u |
| Formula | C16H21F3O2 |
| InChI | InChI=1S/C16H21F3O2/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)15(20)21-12-16(17,18)19/h8-11H,2-7,12H2,1H3 |
| InChIKey | FHKBHFMDJYZQSM-UHFFFAOYSA-N |
| Molecular Weight | 302.337 g/mol |
| SMILES | C1=CC(=CC=C1C(=O)OCC(F)(F)F)CCCCCCC |