| SpectraBase Compound ID | AOt1FXAWi6N |
|---|---|
| InChI | InChI=1S/C14H15F7O2/c1-7(2)9-5-4-8(3)10(6-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h4,9-10H,1,5-6H2,2-3H3 |
| InChIKey | SEPYDQBZCQWNFX-UHFFFAOYSA-N |
| Mol Weight | 348.26 g/mol |
| Molecular Formula | C14H15F7O2 |
| Exact Mass | 348.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qfMsIKcimu |
|---|---|
| Name | Trans-carveol, o-(heptafluorobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.096026862 u |
| Formula | C14H15F7O2 |
| InChI | InChI=1S/C14H15F7O2/c1-7(2)9-5-4-8(3)10(6-9)23-11(22)12(15,16)13(17,18)14(19,20)21/h4,9-10H,1,5-6H2,2-3H3 |
| InChIKey | SEPYDQBZCQWNFX-UHFFFAOYSA-N |
| Molecular Weight | 348.261 g/mol |
| SMILES | C=1CC(C(=C)C)CC(C1C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |