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Diethylmalonic acid, 2-ethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-ethylphenyl pentadecyl ester
SpectraBase Compound ID ASKfGJwr0pQ
InChI InChI=1S/C30H50O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-22-25-33-28(31)30(7-3,8-4)29(32)34-27-24-21-20-23-26(27)6-2/h20-21,23-24H,5-19,22,25H2,1-4H3
InChIKey YUVYYBUEEGATFG-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 GkBj0UDMc4P
Name Diethylmalonic acid, 2-ethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-22-25-33-28(31)30(7-3,8-4)29(32)34-27-24-21-20-23-26(27)6-2/h20-21,23-24H,5-19,22,25H2,1-4H3
InChIKey YUVYYBUEEGATFG-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC