| SpectraBase Compound ID | 2dpiTcsCNA8 |
|---|---|
| InChI | InChI=1S/C12H19F3O4/c1-2-3-4-5-8-18-10(16)6-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | HXUKNYVIZNJLOI-UHFFFAOYSA-N |
| Mol Weight | 284.28 g/mol |
| Molecular Formula | C12H19F3O4 |
| Exact Mass | 284.123544 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZ4wABZpm6s |
|---|---|
| Name | Succinic acid, hexyl 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.123543577 u |
| Formula | C12H19F3O4 |
| InChI | InChI=1S/C12H19F3O4/c1-2-3-4-5-8-18-10(16)6-7-11(17)19-9-12(13,14)15/h2-9H2,1H3 |
| InChIKey | HXUKNYVIZNJLOI-UHFFFAOYSA-N |
| Molecular Weight | 284.275 g/mol |
| SMILES | C(OCC(F)(F)F)(=O)CCC(OCCCCCC)=O |