| SpectraBase Compound ID | LyQr4nCwkdt |
|---|---|
| InChI | InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h3-4,6H,1-2,5H2 |
| InChIKey | JBPRAPHZSDKNOT-UHFFFAOYSA-N |
| Mol Weight | 292.21 g/mol |
| Molecular Formula | C13H9F5O2 |
| Exact Mass | 292.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7NXL7oUvNQn |
|---|---|
| Name | Hexa-1,5-dien-3-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.052270343 u |
| Formula | C13H9F5O2 |
| InChI | InChI=1S/C13H9F5O2/c1-3-5-6(4-2)20-13(19)7-8(14)10(16)12(18)11(17)9(7)15/h3-4,6H,1-2,5H2 |
| InChIKey | JBPRAPHZSDKNOT-UHFFFAOYSA-N |
| Molecular Weight | 292.205 g/mol |
| SMILES | C=CC(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)CC=C |