| SpectraBase Compound ID | LLW17MfzlkD |
|---|---|
| InChI | InChI=1S/C6H7F3O4/c1-3(2-4(10)11)13-5(12)6(7,8)9/h3H,2H2,1H3,(H,10,11) |
| InChIKey | VOYYDTLQLYVTGM-UHFFFAOYSA-N |
| Mol Weight | 200.11 g/mol |
| Molecular Formula | C6H7F3O4 |
| Exact Mass | 200.029643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tcXOOkniDm |
|---|---|
| Name | (+-)-3-hydroxybutyric acid, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.029643190 u |
| Formula | C6H7F3O4 |
| InChI | InChI=1S/C6H7F3O4/c1-3(2-4(10)11)13-5(12)6(7,8)9/h3H,2H2,1H3,(H,10,11) |
| InChIKey | VOYYDTLQLYVTGM-UHFFFAOYSA-N |
| Molecular Weight | 200.113 g/mol |
| SMILES | C(OC(C(F)(F)F)=O)(CC(=O)O)C |