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Dimethylmalonic acid, decyl pentafluorophenyl ester

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Dimethylmalonic acid, decyl pentafluorophenyl ester
SpectraBase Compound ID 98IMHMlhEeI
InChI InChI=1S/C21H27F5O4/c1-4-5-6-7-8-9-10-11-12-29-19(27)21(2,3)20(28)30-18-16(25)14(23)13(22)15(24)17(18)26/h4-12H2,1-3H3
InChIKey ZCJDDEWPSCAIQQ-UHFFFAOYSA-N
Mol Weight 438.44 g/mol
Molecular Formula C21H27F5O4
Exact Mass 438.18295 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTvWtP13qiH
Name Dimethylmalonic acid, decyl pentafluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.182950160 u
Formula C21H27F5O4
InChI InChI=1S/C21H27F5O4/c1-4-5-6-7-8-9-10-11-12-29-19(27)21(2,3)20(28)30-18-16(25)14(23)13(22)15(24)17(18)26/h4-12H2,1-3H3
InChIKey ZCJDDEWPSCAIQQ-UHFFFAOYSA-N
Molecular Weight 438.435 g/mol
SMILES CCCCCCCCCCOC(C(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C)=O