| SpectraBase Compound ID | GCrcXepQnRh |
|---|---|
| InChI | InChI=1S/C14H17F7O2/c1-9(2)5-4-6-10(3)7-8-23-11(22)12(15,16)13(17,18)14(19,20)21/h5,7H,4,6,8H2,1-3H3/b10-7- |
| InChIKey | NMYHVVFTLHEZBN-YFHOEESVSA-N |
| Mol Weight | 350.28 g/mol |
| Molecular Formula | C14H17F7O2 |
| Exact Mass | 350.111677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXJYh0bPXxd |
|---|---|
| Name | Nerol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.111676926 u |
| Formula | C14H17F7O2 |
| InChI | InChI=1S/C14H17F7O2/c1-9(2)5-4-6-10(3)7-8-23-11(22)12(15,16)13(17,18)14(19,20)21/h5,7H,4,6,8H2,1-3H3/b10-7- |
| InChIKey | NMYHVVFTLHEZBN-YFHOEESVSA-N |
| Molecular Weight | 350.277 g/mol |
| SMILES | C(=CCC\C(=C/COC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)(C)C |