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Diethylmalonic acid, hexadecyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexadecyl 3-methylphenyl ester
SpectraBase Compound ID 8wCSgdA8zFy
InChI InChI=1S/C30H50O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(6-2,7-3)29(32)34-27-23-21-22-26(4)25-27/h21-23,25H,5-20,24H2,1-4H3
InChIKey PMPCUOICRDXDRU-UHFFFAOYSA-N
Mol Weight 474.7 g/mol
Molecular Formula C30H50O4
Exact Mass 474.37091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eC12ipYa0w
Name Diethylmalonic acid, hexadecyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(6-2,7-3)29(32)34-27-23-21-22-26(4)25-27/h21-23,25H,5-20,24H2,1-4H3
InChIKey PMPCUOICRDXDRU-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=CC(=CC=C1)C)=O)CC