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

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl tetradecyl ester
SpectraBase Compound ID LSyatFa4FwC
InChI InChI=1S/C29H48O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-22-33-27(30)29(7-2,8-3)28(31)34-26-23-24(4)20-21-25(26)32-5/h20-21,23H,6-19,22H2,1-5H3
InChIKey XEEFBAJOZHWPKX-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C29H48O5
Exact Mass 476.350175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2fE4Dvp0HCw
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.350174641 u
Formula C29H48O5
InChI InChI=1S/C29H48O5/c1-6-9-10-11-12-13-14-15-16-17-18-19-22-33-27(30)29(7-2,8-3)28(31)34-26-23-24(4)20-21-25(26)32-5/h20-21,23H,6-19,22H2,1-5H3
InChIKey XEEFBAJOZHWPKX-UHFFFAOYSA-N
Molecular Weight 476.698 g/mol
SMILES C(C(C(OCCCCCCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O