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Diethylmalonic acid, 5-methyl-2-methoxyphenyl undecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl undecyl ester
SpectraBase Compound ID Lcl98frl0nT
InChI InChI=1S/C26H42O5/c1-6-9-10-11-12-13-14-15-16-19-30-24(27)26(7-2,8-3)25(28)31-23-20-21(4)17-18-22(23)29-5/h17-18,20H,6-16,19H2,1-5H3
InChIKey FEXWADPKBGCZON-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DkVpNIXw6ra
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-6-9-10-11-12-13-14-15-16-19-30-24(27)26(7-2,8-3)25(28)31-23-20-21(4)17-18-22(23)29-5/h17-18,20H,6-16,19H2,1-5H3
InChIKey FEXWADPKBGCZON-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C(C(C(OCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O