| SpectraBase Compound ID | Ho77vM1kg6a |
|---|---|
| InChI | InChI=1S/C12H9F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h3-4H,2,5H2,1H3/b4-3- |
| InChIKey | QFEGJQOUKJLQDS-ARJAWSKDSA-N |
| Mol Weight | 280.19 g/mol |
| Molecular Formula | C12H9F5O2 |
| Exact Mass | 280.05227 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HpzGy9Vkf8 |
|---|---|
| Name | (Z)-Pent-2-en-1-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 | 280.052270343 u |
| Formula | C12H9F5O2 |
| InChI | InChI=1S/C12H9F5O2/c1-2-3-4-5-19-12(18)6-7(13)9(15)11(17)10(16)8(6)14/h3-4H,2,5H2,1H3/b4-3- |
| InChIKey | QFEGJQOUKJLQDS-ARJAWSKDSA-N |
| Molecular Weight | 280.194 g/mol |
| SMILES | CC\C=C/COC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |