| SpectraBase Compound ID | CWQy0OhYIoX |
|---|---|
| InChI | InChI=1S/C14H23F3O4/c1-9(2)8-10(3)20-12(18)6-5-7-13(19)21-11(4)14(15,16)17/h9-11H,5-8H2,1-4H3 |
| InChIKey | BWIVGPZEKWPZHI-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 | G9rqHJz52ZS |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 4-methylpent-2-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/c1-9(2)8-10(3)20-12(18)6-5-7-13(19)21-11(4)14(15,16)17/h9-11H,5-8H2,1-4H3 |
| InChIKey | BWIVGPZEKWPZHI-UHFFFAOYSA-N |
| Molecular Weight | 312.329 g/mol |
| SMILES | C(CCC(OC(C)CC(C)C)=O)C(OC(C)C(F)(F)F)=O |