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Diethylmalonic acid, 3-ethylphenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-ethylphenyl pentadecyl ester
SpectraBase Compound ID A16cCneHl3o
InChI InChI=1S/C30H50O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(7-3,8-4)29(32)34-27-23-21-22-26(6-2)25-27/h21-23,25H,5-20,24H2,1-4H3
InChIKey MKCJYSXMROWKAE-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 4WARHGIMzHP
Name Diethylmalonic acid, 3-ethylphenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.370910086 u
Formula C30H50O4
InChI InChI=1S/C30H50O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-24-33-28(31)30(7-3,8-4)29(32)34-27-23-21-22-26(6-2)25-27/h21-23,25H,5-20,24H2,1-4H3
InChIKey MKCJYSXMROWKAE-UHFFFAOYSA-N
Molecular Weight 474.726 g/mol
SMILES CCC1=CC=CC(=C1)OC(C(C(OCCCCCCCCCCCCCCC)=O)(CC)CC)=O