| SpectraBase Compound ID | 3MBoMCsnP7g |
|---|---|
| InChI | InChI=1S/C15H15F3O2/c16-15(17,18)12-5-3-4-11(10-12)8-9-14(19)20-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2/b9-8+ |
| InChIKey | XFIUZSYKOAWCLX-CMDGGOBGSA-N |
| Mol Weight | 284.28 g/mol |
| Molecular Formula | C15H15F3O2 |
| Exact Mass | 284.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4qE1edLou1q |
|---|---|
| Name | Cinnamic acid, 3-trifluoromethyl-, cyclopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.102414210 u |
| Formula | C15H15F3O2 |
| InChI | InChI=1S/C15H15F3O2/c16-15(17,18)12-5-3-4-11(10-12)8-9-14(19)20-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2/b9-8+ |
| InChIKey | XFIUZSYKOAWCLX-CMDGGOBGSA-N |
| Molecular Weight | 284.278 g/mol |
| SMILES | C1(CCCC1)OC(\C=C\C=1C=CC=C(C(F)(F)F)C1)=O |