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Diethylmalonic acid, 2-methylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-methylphenyl pentadecyl ester
SpectraBase Compound ID CP4tQytlnDl
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(6-2,7-3)28(31)33-26-23-20-19-22-25(26)4/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey XJIYSVJFSOFBCV-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 KZBKzzHdq6r
Name Diethylmalonic acid, 2-methylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.355260022 u
Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-24-32-27(30)29(6-2,7-3)28(31)33-26-23-20-19-22-25(26)4/h19-20,22-23H,5-18,21,24H2,1-4H3
InChIKey XJIYSVJFSOFBCV-UHFFFAOYSA-N
Molecular Weight 460.699 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)C)=O)CC