| SpectraBase Compound ID | EVSMKF3QM3Q |
|---|---|
| InChI | InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-14-24-18(23)13-12-16-10-9-11-17(15-16)19(20,21)22/h9-13,15H,2-8,14H2,1H3/b13-12+ |
| InChIKey | RMUQIZULBDUYGZ-OUKQBFOZSA-N |
| Mol Weight | 342.4 g/mol |
| Molecular Formula | C19H25F3O2 |
| Exact Mass | 342.180665 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A0yE20hbPDc |
|---|---|
| Name | Trans-(3-trifluoromethyl)cinnamic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.180664532 u |
| Formula | C19H25F3O2 |
| InChI | InChI=1S/C19H25F3O2/c1-2-3-4-5-6-7-8-14-24-18(23)13-12-16-10-9-11-17(15-16)19(20,21)22/h9-13,15H,2-8,14H2,1H3/b13-12+ |
| InChIKey | RMUQIZULBDUYGZ-OUKQBFOZSA-N |
| Molecular Weight | 342.402 g/mol |
| SMILES | C(OCCCCCCCCC)(=O)\C=C\C1=CC(C(F)(F)F)=CC=C1 |