| SpectraBase Compound ID | B4vPssDg11M |
|---|---|
| InChI | InChI=1S/C8H9F7O2/c1-4(2)3-17-5(16)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3 |
| InChIKey | PTTNLWHRSGDGJX-UHFFFAOYSA-N |
| Mol Weight | 270.15 g/mol |
| Molecular Formula | C8H9F7O2 |
| Exact Mass | 270.049077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Muai4Hcy54 |
|---|---|
| Name | Heptafluorobutyric acid, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.049076669 u |
| Formula | C8H9F7O2 |
| InChI | InChI=1S/C8H9F7O2/c1-4(2)3-17-5(16)6(9,10)7(11,12)8(13,14)15/h4H,3H2,1-2H3 |
| InChIKey | PTTNLWHRSGDGJX-UHFFFAOYSA-N |
| Molecular Weight | 270.147 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(=O)OCC(C)C |