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

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, dodecyl 2,2,3,3-tetrafluoropropyl ester
SpectraBase Compound ID DvRCmR9ljXv
InChI InChI=1S/C20H34F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-27-17(25)19(2,3)18(26)28-15-20(23,24)16(21)22/h16H,4-15H2,1-3H3
InChIKey ZRZAFVXHJUUEGN-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C20H34F4O4
Exact Mass 414.239322 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HV88vrPVXt9
Name Dimethylmalonic acid, dodecyl 2,2,3,3-tetrafluoropropyl ester
Comments Computed using HOSE algorithm
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Exact Mass 414.239322223 u
Formula C20H34F4O4
InChI InChI=1S/C20H34F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-27-17(25)19(2,3)18(26)28-15-20(23,24)16(21)22/h16H,4-15H2,1-3H3
InChIKey ZRZAFVXHJUUEGN-UHFFFAOYSA-N
Molecular Weight 414.482 g/mol
SMILES CCCCCCCCCCCCOC(C(C(=O)OCC(C(F)F)(F)F)(C)C)=O