| SpectraBase Compound ID | J804rfPQ3hk |
|---|---|
| InChI | InChI=1S/C14H23F3O4/c1-4-6-10(2)9-20-12(18)7-5-8-13(19)21-11(3)14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey | KRUDGTXXRAAWCB-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 | 5MkpbNqome0 |
|---|---|
| Name | Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylpentyl 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/c1-4-6-10(2)9-20-12(18)7-5-8-13(19)21-11(3)14(15,16)17/h10-11H,4-9H2,1-3H3 |
| InChIKey | KRUDGTXXRAAWCB-UHFFFAOYSA-N |
| Molecular Weight | 312.329 g/mol |
| SMILES | C(CCC(OC(C)C(F)(F)F)=O)C(OCC(CCC)C)=O |