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Diethylmalonic acid, dodecyl 2-methylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, dodecyl 2-methylphenyl ester
SpectraBase Compound ID FKy4evRzK5B
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-18-21-29-24(27)26(6-2,7-3)25(28)30-23-20-17-16-19-22(23)4/h16-17,19-20H,5-15,18,21H2,1-4H3
InChIKey UTILJTIVBFUMHT-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 A6IZXCzw8y9
Name Diethylmalonic acid, dodecyl 2-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.308309828 u
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-5-8-9-10-11-12-13-14-15-18-21-29-24(27)26(6-2,7-3)25(28)30-23-20-17-16-19-22(23)4/h16-17,19-20H,5-15,18,21H2,1-4H3
InChIKey UTILJTIVBFUMHT-UHFFFAOYSA-N
Molecular Weight 418.618 g/mol
SMILES C(C(C(OCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C)=O)CC)C