| SpectraBase Compound ID | 8GIplm0lA9v |
|---|---|
| InChI | InChI=1S/C17H13F3O2/c1-12-4-2-7-15(10-12)22-16(21)9-8-13-5-3-6-14(11-13)17(18,19)20/h2-11H,1H3/b9-8+ |
| InChIKey | DCNWBLYDMVETAN-CMDGGOBGSA-N |
| Mol Weight | 306.28 g/mol |
| Molecular Formula | C17H13F3O2 |
| Exact Mass | 306.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B6Dfe4VTFdK |
|---|---|
| Name | Trans-3-trifluoromethylcinnamic acid, 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.086764146 u |
| Formula | C17H13F3O2 |
| InChI | InChI=1S/C17H13F3O2/c1-12-4-2-7-15(10-12)22-16(21)9-8-13-5-3-6-14(11-13)17(18,19)20/h2-11H,1H3/b9-8+ |
| InChIKey | DCNWBLYDMVETAN-CMDGGOBGSA-N |
| Molecular Weight | 306.284 g/mol |
| SMILES | C1(=CC=CC(=C1)\C=C\C(OC1=CC(C)=CC=C1)=O)C(F)(F)F |