![Methyl 2-[(perfluorophenyl)methyl]hex-5-enoate](/api/spectrum/GJFVeEqv5Jn/structure.png?h=300&w=458 "Methyl 2-[(perfluorophenyl)methyl]hex-5-enoate")
| SpectraBase Compound ID | 8XjiH0zKyA2 |
|---|---|
| InChI | InChI=1S/C14H13F5O2/c1-3-4-5-7(14(20)21-2)6-8-9(15)11(17)13(19)12(18)10(8)16/h3,7H,1,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | UBTGGLBAVSKETP-SSDOTTSWSA-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 | GJFVeEqv5Jn |
|---|---|
| Name | Methyl 2-[(perfluorophenyl)methyl]hex-5-enoate |
| 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/c1-3-4-5-7(14(20)21-2)6-8-9(15)11(17)13(19)12(18)10(8)16/h3,7H,1,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | UBTGGLBAVSKETP-SSDOTTSWSA-N |
| Molecular Weight | 308.248 g/mol |
| SMILES | C=1(C(=C(F)C(=C(C1F)F)F)F)C[C@](C(=O)OC)(CCC=C)[H] |