| SpectraBase Compound ID | Nbqbxb6aVU |
|---|---|
| InChI | InChI=1S/C9H9F7O2/c1-4-6(2,3)18-5(17)7(10,11)8(12,13)9(14,15)16/h4H,1H2,2-3H3 |
| InChIKey | OACFSDYVIMZLIH-UHFFFAOYSA-N |
| Mol Weight | 282.16 g/mol |
| Molecular Formula | C9H9F7O2 |
| Exact Mass | 282.049077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnIGmNpD4Ck |
|---|---|
| Name | 2-Methyl-3-buten-2-ol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.049076669 u |
| Formula | C9H9F7O2 |
| InChI | InChI=1S/C9H9F7O2/c1-4-6(2,3)18-5(17)7(10,11)8(12,13)9(14,15)16/h4H,1H2,2-3H3 |
| InChIKey | OACFSDYVIMZLIH-UHFFFAOYSA-N |
| Molecular Weight | 282.158 g/mol |
| SMILES | C=CC(C)(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |