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Dimethylmalonic acid, dodecyl tetradecyl ester

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Dimethylmalonic acid, dodecyl tetradecyl ester
SpectraBase Compound ID 91qEjY2NdMR
InChI InChI=1S/C31H60O4/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-35-30(33)31(3,4)29(32)34-27-25-23-21-19-16-14-12-10-8-6-2/h5-28H2,1-4H3
InChIKey FJOSXASEELEGEO-UHFFFAOYSA-N
Mol Weight 496.8 g/mol
Molecular Formula C31H60O4
Exact Mass 496.44916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rd1pWvnEHe
Name Dimethylmalonic acid, dodecyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-35-30(33)31(3,4)29(32)34-27-25-23-21-19-16-14-12-10-8-6-2/h5-28H2,1-4H3
InChIKey FJOSXASEELEGEO-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES C(CCCCCCOC(=O)C(C(OCCCCCCCCCCCCCC)=O)(C)C)CCCCC