| SpectraBase Compound ID | AYrOoQsN2DJ |
|---|---|
| InChI | InChI=1S/C14H23F3O4/c1-4-6-11(10(2)3)21-13(19)8-5-7-12(18)20-9-14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey | JQWJYMWLZXJVSB-UHFFFAOYSA-N |
| Mol Weight | 312.33 g/mol |
| Molecular Formula | C14H23F3O4 |
| Exact Mass | 312.154844 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5aoa6uckgz4 |
|---|---|
| Name | Glutaric acid, 2,2,2-triluoroethyl 2-methylhex-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.154843706 u |
| Formula | C14H23F3O4 |
| InChI | InChI=1S/C14H23F3O4/c1-4-6-11(10(2)3)21-13(19)8-5-7-12(18)20-9-14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey | JQWJYMWLZXJVSB-UHFFFAOYSA-N |
| Molecular Weight | 312.329 g/mol |
| SMILES | C(CCCC(OCC(F)(F)F)=O)(OC(CCC)C(C)C)=O |