| SpectraBase Compound ID | BqhiuYdVjRK |
|---|---|
| InChI | InChI=1S/C8H7F7O4/c1-3(2-4(16)17)19-5(18)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H,16,17) |
| InChIKey | BTCLXOUNCZJBIF-UHFFFAOYSA-N |
| Mol Weight | 300.13 g/mol |
| Molecular Formula | C8H7F7O4 |
| Exact Mass | 300.023256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5h6u070n2dY |
|---|---|
| Name | (+-)-3-hydroxybutyric acid, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.023255842 u |
| Formula | C8H7F7O4 |
| InChI | InChI=1S/C8H7F7O4/c1-3(2-4(16)17)19-5(18)6(9,10)7(11,12)8(13,14)15/h3H,2H2,1H3,(H,16,17) |
| InChIKey | BTCLXOUNCZJBIF-UHFFFAOYSA-N |
| Molecular Weight | 300.129 g/mol |
| SMILES | C(OC(C(C(F)(F)C(F)(F)F)(F)F)=O)(CC(=O)O)C |