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Diethylmalonic acid, 4-biphenyl decyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl decyl ester
SpectraBase Compound ID Idzn65EH82r
InChI InChI=1S/C29H40O4/c1-4-7-8-9-10-11-12-16-23-32-27(30)29(5-2,6-3)28(31)33-26-21-19-25(20-22-26)24-17-14-13-15-18-24/h13-15,17-22H,4-12,16,23H2,1-3H3
InChIKey WCXIZPZYHAKTRR-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LrUJ5svjdfm
Name Diethylmalonic acid, 4-biphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-4-7-8-9-10-11-12-16-23-32-27(30)29(5-2,6-3)28(31)33-26-21-19-25(20-22-26)24-17-14-13-15-18-24/h13-15,17-22H,4-12,16,23H2,1-3H3
InChIKey WCXIZPZYHAKTRR-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES CCC(C(OCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC