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Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester
SpectraBase Compound ID 8LgPHFVmnKx
InChI InChI=1S/C29H48O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(7-2,8-3)28(31)33-26-22-20-21-24(4)25(26)5/h20-22H,6-19,23H2,1-5H3
InChIKey VSDKERXGMVSMIX-UHFFFAOYSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Dq9mRoMJJ2
Name Diethylmalonic acid, 2,3-dimethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)29(7-2,8-3)28(31)33-26-22-20-21-24(4)25(26)5/h20-22H,6-19,23H2,1-5H3
InChIKey VSDKERXGMVSMIX-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C(=CC=C1)C)C)=O)CC)C