| SpectraBase Compound ID | Is3uiBl80LR |
|---|---|
| InChI | InChI=1S/C9H15F3O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | UYLWXQBGISCNKI-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 | EcLyADpZ4Ov |
|---|---|
| Name | Trifluoroacetic acid, heptyl 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/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2-7H2,1H3 |
| InChIKey | UYLWXQBGISCNKI-UHFFFAOYSA-N |
| Molecular Weight | 212.212 g/mol |
| SMILES | C(CC)CCCCOC(=O)C(F)(F)F |