| SpectraBase Compound ID | 3krVJ8k1z6i |
|---|---|
| InChI | InChI=1S/C12H19F3O4/c1-8(2)7-18-10(16)5-4-6-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | BJCYAUSWUQJPTF-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 | 6Te3aKIVVJ3 |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl isobutyl 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/c1-8(2)7-18-10(16)5-4-6-11(17)19-9(3)12(13,14)15/h8-9H,4-7H2,1-3H3 |
| InChIKey | BJCYAUSWUQJPTF-UHFFFAOYSA-N |
| Molecular Weight | 284.275 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCC(C)C)=O |