| SpectraBase Compound ID | KR7VYLCx6YV |
|---|---|
| InChI | InChI=1S/C12H21F3O2/c1-3-5-6-8-10(7-4-2)9-17-11(16)12(13,14)15/h10H,3-9H2,1-2H3 |
| InChIKey | NXADIKHAAKGENP-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 | 1Cwhcd52Brp |
|---|---|
| Name | Trifluoroacetic acid, 2-propylheptyl ester |
| 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/c1-3-5-6-8-10(7-4-2)9-17-11(16)12(13,14)15/h10H,3-9H2,1-2H3 |
| InChIKey | NXADIKHAAKGENP-UHFFFAOYSA-N |
| Molecular Weight | 254.293 g/mol |
| SMILES | C(F)(F)(F)C(OCC(CCCCC)CCC)=O |