| SpectraBase Compound ID | 9cJI8zL5iaO |
|---|---|
| InChI | InChI=1S/C14H19F7O2/c1-5-9(2)7-6-8-11(3,4)23-10(22)12(15,16)13(17,18)14(19,20)21/h5,9H,1,6-8H2,2-4H3 |
| InChIKey | AIQUGTACJFDSIC-UHFFFAOYSA-N |
| Mol Weight | 352.29 g/mol |
| Molecular Formula | C14H19F7O2 |
| Exact Mass | 352.127327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gvn0UQYFQqE |
|---|---|
| Name | Dihydromyrcenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.127326991 u |
| Formula | C14H19F7O2 |
| InChI | InChI=1S/C14H19F7O2/c1-5-9(2)7-6-8-11(3,4)23-10(22)12(15,16)13(17,18)14(19,20)21/h5,9H,1,6-8H2,2-4H3 |
| InChIKey | AIQUGTACJFDSIC-UHFFFAOYSA-N |
| Molecular Weight | 352.293 g/mol |
| SMILES | C(CCC(C)(C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(C=C)C |