| SpectraBase Compound ID | A74hqfYyeGD |
|---|---|
| InChI | InChI=1S/C13H21F3O4/c1-2-3-4-5-9-19-11(17)7-6-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | NWJOVVPNUBUWCU-UHFFFAOYSA-N |
| Mol Weight | 298.3 g/mol |
| Molecular Formula | C13H21F3O4 |
| Exact Mass | 298.139194 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I86eFdOO7FG |
|---|---|
| Name | Glutaric acid, 2,2,2-triluoroethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.139193641 u |
| Formula | C13H21F3O4 |
| InChI | InChI=1S/C13H21F3O4/c1-2-3-4-5-9-19-11(17)7-6-8-12(18)20-10-13(14,15)16/h2-10H2,1H3 |
| InChIKey | NWJOVVPNUBUWCU-UHFFFAOYSA-N |
| Molecular Weight | 298.302 g/mol |
| SMILES | C(CCCC(OCC(F)(F)F)=O)(OCCCCCC)=O |