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Diethylmalonic acid, 3,7-dimethyloctyl undecyl ester

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Diethylmalonic acid, 3,7-dimethyloctyl undecyl ester
SpectraBase Compound ID DEkRMPhai7k
InChI InChI=1S/C28H54O4/c1-7-10-11-12-13-14-15-16-17-22-31-26(29)28(8-2,9-3)27(30)32-23-21-25(6)20-18-19-24(4)5/h24-25H,7-23H2,1-6H3
InChIKey NQOQBWJIYBPYJD-UHFFFAOYSA-N
Mol Weight 454.7 g/mol
Molecular Formula C28H54O4
Exact Mass 454.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nDe1QkcRPy
Name Diethylmalonic acid, 3,7-dimethyloctyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.402210215 u
Formula C28H54O4
InChI InChI=1S/C28H54O4/c1-7-10-11-12-13-14-15-16-17-22-31-26(29)28(8-2,9-3)27(30)32-23-21-25(6)20-18-19-24(4)5/h24-25H,7-23H2,1-6H3
InChIKey NQOQBWJIYBPYJD-UHFFFAOYSA-N
Molecular Weight 454.736 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OCCC(CCCC(C)C)C)=O)CC