| SpectraBase Compound ID | AmQtXLMjLjg |
|---|---|
| InChI | InChI=1S/C10H11F7O4/c1-4(2)3-5(6(18)19)21-7(20)8(11,12)9(13,14)10(15,16)17/h4-5H,3H2,1-2H3,(H,18,19) |
| InChIKey | GGSQFGBRSVUXHW-UHFFFAOYSA-N |
| Mol Weight | 328.18 g/mol |
| Molecular Formula | C10H11F7O4 |
| Exact Mass | 328.054556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aa4JFnFTbFr |
|---|---|
| Name | 2-Hydroxyisocaproic acid, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.054555971 u |
| Formula | C10H11F7O4 |
| InChI | InChI=1S/C10H11F7O4/c1-4(2)3-5(6(18)19)21-7(20)8(11,12)9(13,14)10(15,16)17/h4-5H,3H2,1-2H3,(H,18,19) |
| InChIKey | GGSQFGBRSVUXHW-UHFFFAOYSA-N |
| Molecular Weight | 328.183 g/mol |
| SMILES | CC(CC(C(O)=O)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |