| SpectraBase Compound ID | LoDBuNz7NTP |
|---|---|
| InChI | InChI=1S/C9H15F3O2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-7H2,1H3 |
| InChIKey | UTXQXSVLXHFDNO-UHFFFAOYSA-N |
| Mol Weight | 212.21 g/mol |
| Molecular Formula | C9H15F3O2 |
| Exact Mass | 212.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8lbSAR7BCXs |
|---|---|
| Name | Heptanoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.102414210 u |
| Formula | C9H15F3O2 |
| InChI | InChI=1S/C9H15F3O2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-7H2,1H3 |
| InChIKey | UTXQXSVLXHFDNO-UHFFFAOYSA-N |
| Molecular Weight | 212.212 g/mol |
| SMILES | C(CCC(OCC(F)(F)F)=O)CCC |