| SpectraBase Compound ID | AKNsUkbu3gu |
|---|---|
| InChI | InChI=1S/C9H9F7O3/c10-7(11,8(12,13)9(14,15)16)6(17)19-4-5-2-1-3-18-5/h5H,1-4H2 |
| InChIKey | PPCKTBCONSTEDT-UHFFFAOYSA-N |
| Mol Weight | 298.16 g/mol |
| Molecular Formula | C9H9F7O3 |
| Exact Mass | 298.043991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5TsFW9Ko8NX |
|---|---|
| Name | Heptafluorobutyric acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.043991288 u |
| Formula | C9H9F7O3 |
| InChI | InChI=1S/C9H9F7O3/c10-7(11,8(12,13)9(14,15)16)6(17)19-4-5-2-1-3-18-5/h5H,1-4H2 |
| InChIKey | PPCKTBCONSTEDT-UHFFFAOYSA-N |
| Molecular Weight | 298.157 g/mol |
| SMILES | C(C(C(C(=O)OCC1OCCC1)(F)F)(F)F)(F)(F)F |