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Diethylmalonic acid, dodecyl 2-ethylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-ethylphenyl ester
SpectraBase Compound ID 7RyUAYqYPT6
InChI InChI=1S/C27H44O4/c1-5-9-10-11-12-13-14-15-16-19-22-30-25(28)27(7-3,8-4)26(29)31-24-21-18-17-20-23(24)6-2/h17-18,20-21H,5-16,19,22H2,1-4H3
InChIKey MPADDMYVXHAVCK-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H44O4
Exact Mass 432.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UEc4OCXIR
Name Diethylmalonic acid, dodecyl 2-ethylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 432.323959893 u
Formula C27H44O4
InChI InChI=1S/C27H44O4/c1-5-9-10-11-12-13-14-15-16-19-22-30-25(28)27(7-3,8-4)26(29)31-24-21-18-17-20-23(24)6-2/h17-18,20-21H,5-16,19,22H2,1-4H3
InChIKey MPADDMYVXHAVCK-UHFFFAOYSA-N
Molecular Weight 432.645 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC