| SpectraBase Compound ID | 1PBfUUUjDGG |
|---|---|
| InChI | InChI=1S/C17H13F3O3/c1-22-14-6-8-15(9-7-14)23-16(21)10-5-12-3-2-4-13(11-12)17(18,19)20/h2-11H,1H3/b10-5+ |
| InChIKey | RKTVYDVWSGSZRZ-BJMVGYQFSA-N |
| Mol Weight | 322.28 g/mol |
| Molecular Formula | C17H13F3O3 |
| Exact Mass | 322.081679 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EKwom4UQRkh |
|---|---|
| Name | Trans-3-trifluoromethylcinnamic acid, 4-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.081678765 u |
| Formula | C17H13F3O3 |
| InChI | InChI=1S/C17H13F3O3/c1-22-14-6-8-15(9-7-14)23-16(21)10-5-12-3-2-4-13(11-12)17(18,19)20/h2-11H,1H3/b10-5+ |
| InChIKey | RKTVYDVWSGSZRZ-BJMVGYQFSA-N |
| Molecular Weight | 322.283 g/mol |
| SMILES | C1(=CC=CC(=C1)\C=C\C(OC1=CC=C(OC)C=C1)=O)C(F)(F)F |