| SpectraBase Compound ID | CcDWAj9WiUx |
|---|---|
| InChI | InChI=1S/C13H13F3O2/c1-2-3-4-12(17)18-9-10-5-7-11(8-6-10)13(14,15)16/h2,5-8H,1,3-4,9H2 |
| InChIKey | MAZVCMJPMXCPJT-UHFFFAOYSA-N |
| Mol Weight | 258.24 g/mol |
| Molecular Formula | C13H13F3O2 |
| Exact Mass | 258.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J5bxZ5Iuglc |
|---|---|
| Name | p-Trifluoromethylbenzyl pent-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.086764146 u |
| Formula | C13H13F3O2 |
| InChI | InChI=1S/C13H13F3O2/c1-2-3-4-12(17)18-9-10-5-7-11(8-6-10)13(14,15)16/h2,5-8H,1,3-4,9H2 |
| InChIKey | MAZVCMJPMXCPJT-UHFFFAOYSA-N |
| Molecular Weight | 258.240 g/mol |
| SMILES | C(CCC=C)(=O)OCC=1C=CC(=CC1)C(F)(F)F |