| SpectraBase Compound ID | DOBdjEmA7Ea |
|---|---|
| InChI | InChI=1S/C14H13F7O2/c1-8(2)10-5-3-9(4-6-10)7-23-11(22)12(15,16)13(17,18)14(19,20)21/h3-6,8H,7H2,1-2H3 |
| InChIKey | IFCZYUCKWXNHCI-UHFFFAOYSA-N |
| Mol Weight | 346.24 g/mol |
| Molecular Formula | C14H13F7O2 |
| Exact Mass | 346.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdIZXdfZWkV |
|---|---|
| Name | Cuminyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.080376798 u |
| Formula | C14H13F7O2 |
| InChI | InChI=1S/C14H13F7O2/c1-8(2)10-5-3-9(4-6-10)7-23-11(22)12(15,16)13(17,18)14(19,20)21/h3-6,8H,7H2,1-2H3 |
| InChIKey | IFCZYUCKWXNHCI-UHFFFAOYSA-N |
| Molecular Weight | 346.245 g/mol |
| SMILES | C(C)(C)C1=CC=C(C=C1)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |