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Diethylmalonic acid, 3-methylbenzyl undecyl ester

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Diethylmalonic acid, 3-methylbenzyl undecyl ester
SpectraBase Compound ID 265vBAoFXfp
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-19-29-24(27)26(6-2,7-3)25(28)30-21-23-18-16-17-22(4)20-23/h16-18,20H,5-15,19,21H2,1-4H3
InChIKey ZOAGZCRGCSQXHO-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HmOHA2LQQS
Name Diethylmalonic acid, 3-methylbenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-19-29-24(27)26(6-2,7-3)25(28)30-21-23-18-16-17-22(4)20-23/h16-18,20H,5-15,19,21H2,1-4H3
InChIKey ZOAGZCRGCSQXHO-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES CCC(C(OCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)C)=O)CC