| SpectraBase Compound ID | IKvp5cnlu7K |
|---|---|
| InChI | InChI=1S/C12H15F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h3-4,6-7H,2,5,8-9H2,1H3/b4-3+,7-6+ |
| InChIKey | WSCOSEJKVUIHDJ-FZWLCVONSA-N |
| Mol Weight | 286.24 g/mol |
| Molecular Formula | C12H15F5O2 |
| Exact Mass | 286.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IofRd1B6uoO |
|---|---|
| Name | (3E,6E)-Nona-3,6-dienyl 2,2,3,3,3-pentafluoropropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.099220536 u |
| Formula | C12H15F5O2 |
| InChI | InChI=1S/C12H15F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h3-4,6-7H,2,5,8-9H2,1H3/b4-3+,7-6+ |
| InChIKey | WSCOSEJKVUIHDJ-FZWLCVONSA-N |
| Molecular Weight | 286.242 g/mol |
| SMILES | C(OC(C(F)(C(F)(F)F)F)=O)C\C=C\C\C=C\CC |