| SpectraBase Compound ID | AvH7c5zhmeZ |
|---|---|
| InChI | InChI=1S/C17H21F3O2/c1-2-3-4-5-6-12-22-16(21)11-10-14-8-7-9-15(13-14)17(18,19)20/h7-11,13H,2-6,12H2,1H3/b11-10+ |
| InChIKey | CZOIQZJKDFRADG-ZHACJKMWSA-N |
| Mol Weight | 314.35 g/mol |
| Molecular Formula | C17H21F3O2 |
| Exact Mass | 314.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5SBfgZP1zAV |
|---|---|
| Name | Trans-3-(trifluoromethyl)cinnamic acid, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.149364403 u |
| Formula | C17H21F3O2 |
| InChI | InChI=1S/C17H21F3O2/c1-2-3-4-5-6-12-22-16(21)11-10-14-8-7-9-15(13-14)17(18,19)20/h7-11,13H,2-6,12H2,1H3/b11-10+ |
| InChIKey | CZOIQZJKDFRADG-ZHACJKMWSA-N |
| Molecular Weight | 314.348 g/mol |
| SMILES | C1=C(C=C(C=C1)\C=C\C(OCCCCCCC)=O)C(F)(F)F |