| SpectraBase Compound ID | B0SOz3Z8A5T |
|---|---|
| InChI | InChI=1S/C14H15F3O2/c1-2-3-9-19-13(18)8-7-11-5-4-6-12(10-11)14(15,16)17/h4-8,10H,2-3,9H2,1H3/b8-7+ |
| InChIKey | RDQYFKFIUCPJLN-BQYQJAHWSA-N |
| Mol Weight | 272.27 g/mol |
| Molecular Formula | C14H15F3O2 |
| Exact Mass | 272.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIKhdAOsnIX |
|---|---|
| Name | Trans-3-(trifluoromethyl)cinnamic acid, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.102414210 u |
| Formula | C14H15F3O2 |
| InChI | InChI=1S/C14H15F3O2/c1-2-3-9-19-13(18)8-7-11-5-4-6-12(10-11)14(15,16)17/h4-8,10H,2-3,9H2,1H3/b8-7+ |
| InChIKey | RDQYFKFIUCPJLN-BQYQJAHWSA-N |
| Molecular Weight | 272.267 g/mol |
| SMILES | C1=C(C=C(C=C1)\C=C\C(OCCCC)=O)C(F)(F)F |