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Diethylmalonic acid, hexadecyl phenethyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexadecyl phenethyl ester
SpectraBase Compound ID FsXIVnXH0bw
InChI InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-26-34-29(32)31(5-2,6-3)30(33)35-27-25-28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3
InChIKey GBNONUOBEKTNHK-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 7jOEdfmvqsq
Name Diethylmalonic acid, hexadecyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 488.386560150 u
Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-26-34-29(32)31(5-2,6-3)30(33)35-27-25-28-23-20-19-21-24-28/h19-21,23-24H,4-18,22,25-27H2,1-3H3
InChIKey GBNONUOBEKTNHK-UHFFFAOYSA-N
Molecular Weight 488.753 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCC)=O)(C(OCCC1=CC=CC=C1)=O)CC