| SpectraBase Compound ID | HmgI0ueMKbb |
|---|---|
| InChI | InChI=1S/C17H13F3O2/c18-17(19,20)15-10-4-9-14(12-15)16(21)22-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+ |
| InChIKey | UJMKTVRXRILCDY-VMPITWQZSA-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 | Fz9BNDfmh0R |
|---|---|
| Name | 3-Trifluoromethylbenzoic acid, 3-phenyl-2-propenyl 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/c18-17(19,20)15-10-4-9-14(12-15)16(21)22-11-5-8-13-6-2-1-3-7-13/h1-10,12H,11H2/b8-5+ |
| InChIKey | UJMKTVRXRILCDY-VMPITWQZSA-N |
| Molecular Weight | 306.284 g/mol |
| SMILES | C1(=CC=CC=C1)\C=C\COC(C=1C=CC=C(C1)C(F)(F)F)=O |