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Diethylmalonic acid, 5-methoxy-3-methylpentyl tridecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methoxy-3-methylpentyl tridecyl ester
SpectraBase Compound ID ICkyZR08oUi
InChI InChI=1S/C27H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-31-25(28)27(7-2,8-3)26(29)32-23-20-24(4)19-22-30-5/h24H,6-23H2,1-5H3
InChIKey DEGGHBKEFOHVRT-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H52O5
Exact Mass 456.381475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jt96IFkFPYc
Name Diethylmalonic acid, 5-methoxy-3-methylpentyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 456.381474769 u
Formula C27H52O5
InChI InChI=1S/C27H52O5/c1-6-9-10-11-12-13-14-15-16-17-18-21-31-25(28)27(7-2,8-3)26(29)32-23-20-24(4)19-22-30-5/h24H,6-23H2,1-5H3
InChIKey DEGGHBKEFOHVRT-UHFFFAOYSA-N
Molecular Weight 456.708 g/mol
SMILES C(C(C(OCCCCCCCCCCCCC)=O)(CC)CC)(OCCC(CCOC)C)=O