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Diethylmalonic acid, heptadecyl phenethyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptadecyl phenethyl ester
SpectraBase Compound ID 8EgNYwK2x1F
InChI InChI=1S/C32H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-30(33)32(5-2,6-3)31(34)36-28-26-29-24-21-20-22-25-29/h20-22,24-25H,4-19,23,26-28H2,1-3H3
InChIKey KJMBSJWYEZSWCR-UHFFFAOYSA-N
Mol Weight 502.8 g/mol
Molecular Formula C32H54O4
Exact Mass 502.40221 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAAfzO1ES8m
Name Diethylmalonic acid, heptadecyl phenethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 502.402210215 u
Formula C32H54O4
InChI InChI=1S/C32H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-27-35-30(33)32(5-2,6-3)31(34)36-28-26-29-24-21-20-22-25-29/h20-22,24-25H,4-19,23,26-28H2,1-3H3
InChIKey KJMBSJWYEZSWCR-UHFFFAOYSA-N
Molecular Weight 502.780 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCCCC)=O)(C(OCCC1=CC=CC=C1)=O)CC