| SpectraBase Compound ID | AUdQCQdvt3o |
|---|---|
| InChI | InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h4-5H,2-3,6H2,1H3/b5-4- |
| InChIKey | BIJBBYLIOLGIFN-PLNGDYQASA-N |
| Mol Weight | 246.18 g/mol |
| Molecular Formula | C9H11F5O2 |
| Exact Mass | 246.06792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76rzfeuN7qZ |
|---|---|
| Name | cis-2-Hexen-1-ol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.067920407 u |
| Formula | C9H11F5O2 |
| InChI | InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h4-5H,2-3,6H2,1H3/b5-4- |
| InChIKey | BIJBBYLIOLGIFN-PLNGDYQASA-N |
| Molecular Weight | 246.177 g/mol |
| SMILES | CCC\C=C/COC(C(C(F)(F)F)(F)F)=O |