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Dimethylmalonic acid, 4-octyl octadecyl ester

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Dimethylmalonic acid, 4-octyl octadecyl ester
SpectraBase Compound ID 2rmXft0vZry
InChI InChI=1S/C31H60O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-29(32)31(4,5)30(33)35-28(25-8-3)26-10-7-2/h28H,6-27H2,1-5H3
InChIKey DOXNFDVAVRKNOL-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 1TXRi5goxBJ
Name Dimethylmalonic acid, 4-octyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 496.449160408 u
Formula C31H60O4
InChI InChI=1S/C31H60O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-34-29(32)31(4,5)30(33)35-28(25-8-3)26-10-7-2/h28H,6-27H2,1-5H3
InChIKey DOXNFDVAVRKNOL-UHFFFAOYSA-N
Molecular Weight 496.817 g/mol
SMILES CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCCCC)=O)CCCC