| SpectraBase Compound ID | 8s887RlCjXH |
|---|---|
| InChI | InChI=1S/C13H11F5O2/c1-2-3-4-5-6-20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | XRWDLDUDVMKQGG-ONEGZZNKSA-N |
| Mol Weight | 294.22 g/mol |
| Molecular Formula | C13H11F5O2 |
| Exact Mass | 294.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G1JQTyvp6oW |
|---|---|
| Name | (E)-hex-3-Enyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.067920407 u |
| Formula | C13H11F5O2 |
| InChI | InChI=1S/C13H11F5O2/c1-2-3-4-5-6-20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h3-4H,2,5-6H2,1H3/b4-3+ |
| InChIKey | XRWDLDUDVMKQGG-ONEGZZNKSA-N |
| Molecular Weight | 294.221 g/mol |
| SMILES | C(=O)(C1=C(C(=C(C(=C1F)F)F)F)F)OCC\C=C\CC |