| SpectraBase Compound ID | 7K8ZdpMU0D5 |
|---|---|
| InChI | InChI=1S/C14H11F5O2/c1-3-5-7(6-4-2)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h3-4,7H,1-2,5-6H2 |
| InChIKey | VQUFWJZUFJVXKJ-UHFFFAOYSA-N |
| Mol Weight | 306.23 g/mol |
| Molecular Formula | C14H11F5O2 |
| Exact Mass | 306.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6cEe4wU2TlP |
|---|---|
| Name | Hepta-1,6-dien-4-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 | 306.067920407 u |
| Formula | C14H11F5O2 |
| InChI | InChI=1S/C14H11F5O2/c1-3-5-7(6-4-2)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h3-4,7H,1-2,5-6H2 |
| InChIKey | VQUFWJZUFJVXKJ-UHFFFAOYSA-N |
| Molecular Weight | 306.232 g/mol |
| SMILES | C(CC(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)CC=C)=C |