| SpectraBase Compound ID | DGIMCmL1caw |
|---|---|
| InChI | InChI=1S/C12H15F7O2/c1-3-5-6-7-8(4-2)21-9(20)10(13,14)11(15,16)12(17,18)19/h4,8H,2-3,5-7H2,1H3 |
| InChIKey | QROWCCNORFAIJS-UHFFFAOYSA-N |
| Mol Weight | 324.24 g/mol |
| Molecular Formula | C12H15F7O2 |
| Exact Mass | 324.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4WNm3u6bQ4 |
|---|---|
| Name | 1-Octen-3-ol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.096026862 u |
| Formula | C12H15F7O2 |
| InChI | InChI=1S/C12H15F7O2/c1-3-5-6-7-8(4-2)21-9(20)10(13,14)11(15,16)12(17,18)19/h4,8H,2-3,5-7H2,1H3 |
| InChIKey | QROWCCNORFAIJS-UHFFFAOYSA-N |
| Molecular Weight | 324.239 g/mol |
| SMILES | CCCCCC(C=C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |