| SpectraBase Compound ID | 4nqoJsbetk |
|---|---|
| InChI | InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-10-17-11(16)8-9-12(13,14)15/h2-10H2,1H3 |
| InChIKey | KVBONBMIQZHIFS-UHFFFAOYSA-N |
| Mol Weight | 254.29 g/mol |
| Molecular Formula | C12H21F3O2 |
| Exact Mass | 254.149364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HNUH5HyrlTr |
|---|---|
| Name | Octyl 4,4,4-trifluorobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.149364403 u |
| Formula | C12H21F3O2 |
| InChI | InChI=1S/C12H21F3O2/c1-2-3-4-5-6-7-10-17-11(16)8-9-12(13,14)15/h2-10H2,1H3 |
| InChIKey | KVBONBMIQZHIFS-UHFFFAOYSA-N |
| Molecular Weight | 254.293 g/mol |
| SMILES | C(F)(F)(F)CCC(=O)OCCCCCCCC |