| SpectraBase Compound ID | JVIr7dR0wr2 |
|---|---|
| InChI | InChI=1S/C13H19F7O2/c1-3-4-5-6-7-8-9(2)22-10(21)11(14,15)12(16,17)13(18,19)20/h9H,3-8H2,1-2H3 |
| InChIKey | KUGDHCMLVNLBBY-UHFFFAOYSA-N |
| Mol Weight | 340.28 g/mol |
| Molecular Formula | C13H19F7O2 |
| Exact Mass | 340.127327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L89gef56lTp |
|---|---|
| Name | 2-Nonanol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.127326991 u |
| Formula | C13H19F7O2 |
| InChI | InChI=1S/C13H19F7O2/c1-3-4-5-6-7-8-9(2)22-10(21)11(14,15)12(16,17)13(18,19)20/h9H,3-8H2,1-2H3 |
| InChIKey | KUGDHCMLVNLBBY-UHFFFAOYSA-N |
| Molecular Weight | 340.282 g/mol |
| SMILES | C(CCCCC)CC(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |