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Diethylmalonic acid, 4-biphenyl dodecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl dodecyl ester
SpectraBase Compound ID KgeUtVqiAAP
InChI InChI=1S/C31H44O4/c1-4-7-8-9-10-11-12-13-14-18-25-34-29(32)31(5-2,6-3)30(33)35-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3
InChIKey XXJQSYLCLBXJJI-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C31H44O4
Exact Mass 480.32396 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BTo4ZUZ9SFC
Name Diethylmalonic acid, 4-biphenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.323959893 u
Formula C31H44O4
InChI InChI=1S/C31H44O4/c1-4-7-8-9-10-11-12-13-14-18-25-34-29(32)31(5-2,6-3)30(33)35-28-23-21-27(22-24-28)26-19-16-15-17-20-26/h15-17,19-24H,4-14,18,25H2,1-3H3
InChIKey XXJQSYLCLBXJJI-UHFFFAOYSA-N
Molecular Weight 480.689 g/mol
SMILES CCC(C(OCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC