| SpectraBase Compound ID | CsOkc50jR9g |
|---|---|
| InChI | InChI=1S/C10H13F7O2/c1-6(2)4-3-5-19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3 |
| InChIKey | MCNIOSBJMHFSLJ-UHFFFAOYSA-N |
| Mol Weight | 298.2 g/mol |
| Molecular Formula | C10H13F7O2 |
| Exact Mass | 298.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4kIV2tU8vss |
|---|---|
| Name | Heptafluorobutyric acid, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.080376798 u |
| Formula | C10H13F7O2 |
| InChI | InChI=1S/C10H13F7O2/c1-6(2)4-3-5-19-7(18)8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3 |
| InChIKey | MCNIOSBJMHFSLJ-UHFFFAOYSA-N |
| Molecular Weight | 298.201 g/mol |
| SMILES | C(C(C(=O)OCCCC(C)C)(F)F)(C(F)(F)F)(F)F |