| SpectraBase Compound ID | JQx3KcVzi0H |
|---|---|
| InChI | InChI=1S/C20H35F3O4/c1-5-8-9-10-11-12-13-14-15-26-17(24)19(6-2,7-3)18(25)27-16(4)20(21,22)23/h16H,5-15H2,1-4H3 |
| InChIKey | JAMOXBZTNAPWNM-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C20H35F3O4 |
| Exact Mass | 396.248744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdHFQcyCpo6 |
|---|---|
| Name | Diethylmalonic acid, decyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.248744092 u |
| Formula | C20H35F3O4 |
| InChI | InChI=1S/C20H35F3O4/c1-5-8-9-10-11-12-13-14-15-26-17(24)19(6-2,7-3)18(25)27-16(4)20(21,22)23/h16H,5-15H2,1-4H3 |
| InChIKey | JAMOXBZTNAPWNM-UHFFFAOYSA-N |
| Molecular Weight | 396.491 g/mol |
| SMILES | C(C(C(OCCCCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)C)=O |