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Diethylmalonic acid, 2,4,4-trimethylpentyl undecyl ester

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Diethylmalonic acid, 2,4,4-trimethylpentyl undecyl ester
SpectraBase Compound ID IfXQQh9TxZP
InChI InChI=1S/C26H50O4/c1-8-11-12-13-14-15-16-17-18-19-29-23(27)26(9-2,10-3)24(28)30-21-22(4)20-25(5,6)7/h22H,8-21H2,1-7H3
InChIKey SQGBMJRUOCXPNV-UHFFFAOYSA-N
Mol Weight 426.7 g/mol
Molecular Formula C26H50O4
Exact Mass 426.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HABQ51hQP4f
Name Diethylmalonic acid, 2,4,4-trimethylpentyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 426.370910086 u
Formula C26H50O4
InChI InChI=1S/C26H50O4/c1-8-11-12-13-14-15-16-17-18-19-29-23(27)26(9-2,10-3)24(28)30-21-22(4)20-25(5,6)7/h22H,8-21H2,1-7H3
InChIKey SQGBMJRUOCXPNV-UHFFFAOYSA-N
Molecular Weight 426.682 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OCC(CC(C)(C)C)C)=O)CC