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Diethylmalonic acid, 4-biphenyl heptyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-biphenyl heptyl ester
SpectraBase Compound ID JDT0kOctCJG
InChI InChI=1S/C26H34O4/c1-4-7-8-9-13-20-29-24(27)26(5-2,6-3)25(28)30-23-18-16-22(17-19-23)21-14-11-10-12-15-21/h10-12,14-19H,4-9,13,20H2,1-3H3
InChIKey DQDHEKWWONYPEK-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0QOkHfvsb7
Name Diethylmalonic acid, 4-biphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-4-7-8-9-13-20-29-24(27)26(5-2,6-3)25(28)30-23-18-16-22(17-19-23)21-14-11-10-12-15-21/h10-12,14-19H,4-9,13,20H2,1-3H3
InChIKey DQDHEKWWONYPEK-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=CC=C(C=C1)C1=CC=CC=C1)=O)CC