| SpectraBase Compound ID | jCy3qNWHaN |
|---|---|
| InChI | InChI=1S/C14H13F5O2/c1-4-7(6(2)14(20)21-3)5-8-9(15)11(17)13(19)12(18)10(8)16/h4,6-7H,1,5H2,2-3H3 |
| InChIKey | VSZMABHDYGGYDG-UHFFFAOYSA-N |
| Mol Weight | 308.25 g/mol |
| Molecular Formula | C14H13F5O2 |
| Exact Mass | 308.08357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BZrQMry6tL4 |
|---|---|
| Name | Methyl-2-methyl-3-((pentafluorophenyl)-methyl)-4-pentenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.083570472 u |
| Formula | C14H13F5O2 |
| InChI | InChI=1S/C14H13F5O2/c1-4-7(6(2)14(20)21-3)5-8-9(15)11(17)13(19)12(18)10(8)16/h4,6-7H,1,5H2,2-3H3 |
| InChIKey | VSZMABHDYGGYDG-UHFFFAOYSA-N |
| Molecular Weight | 308.248 g/mol |
| SMILES | C1(F)=C(CC(C=C)C(C)C(=O)OC)C(=C(C(=C1F)F)F)F |