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Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester
SpectraBase Compound ID IQxarB2gxF7
InChI InChI=1S/C21H36F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-28-18(26)20(2,3)19(27)29-16-21(24,25)17(22)23/h17H,4-16H2,1-3H3
InChIKey CHTNJSVWRHOTDT-UHFFFAOYSA-N
Mol Weight 428.5 g/mol
Molecular Formula C21H36F4O4
Exact Mass 428.254972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JYUEpKPY15T
Name Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 428.254972287 u
Formula C21H36F4O4
InChI InChI=1S/C21H36F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-28-18(26)20(2,3)19(27)29-16-21(24,25)17(22)23/h17H,4-16H2,1-3H3
InChIKey CHTNJSVWRHOTDT-UHFFFAOYSA-N
Molecular Weight 428.509 g/mol
SMILES CCCCCCCCCCCCCOC(C(C(=O)OCC(C(F)F)(F)F)(C)C)=O