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Dimethylmalonic acid, octadecyl tridecyl ester

View entire compound with spectra: 1 NMR

Dimethylmalonic acid, octadecyl tridecyl ester
SpectraBase Compound ID GVb4yijDypf
InChI InChI=1S/C36H70O4/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40-35(38)36(3,4)34(37)39-32-30-28-26-24-22-16-14-12-10-8-6-2/h5-33H2,1-4H3
InChIKey MRIDRSWRTBGKGI-UHFFFAOYSA-N
Mol Weight 567.0 g/mol
Molecular Formula C36H70O4
Exact Mass 566.527411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzVipjne15a
Name Dimethylmalonic acid, octadecyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 566.527410730 u
Formula C36H70O4
InChI InChI=1S/C36H70O4/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40-35(38)36(3,4)34(37)39-32-30-28-26-24-22-16-14-12-10-8-6-2/h5-33H2,1-4H3
InChIKey MRIDRSWRTBGKGI-UHFFFAOYSA-N
Molecular Weight 566.952 g/mol
SMILES C(CCCCCCCCCOC(=O)C(C(OCCCCCCCCCCCCCCCCCC)=O)(C)C)CCC