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Diethylmalonic acid, 2-ethylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-ethylphenyl tetradecyl ester
SpectraBase Compound ID 4qK2nP4yfJw
InChI InChI=1S/C29H48O4/c1-5-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(7-3,8-4)28(31)33-26-23-20-19-22-25(26)6-2/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey YUKUTPCWHJPNPL-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 3LmdEwwPNHy
Name Diethylmalonic acid, 2-ethylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(7-3,8-4)28(31)33-26-23-20-19-22-25(26)6-2/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey YUKUTPCWHJPNPL-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC