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Diethylmalonic acid, 2-ethylphenyl hexadecyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Diethylmalonic acid, 2-ethylphenyl hexadecyl ester
SpectraBase Compound ID HdkdHMyTuCz
InChI InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)31(7-3,8-4)30(33)35-28-25-22-21-24-27(28)6-2/h21-22,24-25H,5-20,23,26H2,1-4H3
InChIKey DBLDRRHEQBZXGH-UHFFFAOYSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 742kydHJkdz
Name Diethylmalonic acid, 2-ethylphenyl hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-23-26-34-29(32)31(7-3,8-4)30(33)35-28-25-22-21-24-27(28)6-2/h21-22,24-25H,5-20,23,26H2,1-4H3
InChIKey DBLDRRHEQBZXGH-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OC1=C(C=CC=C1)CC)=O)CC