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Diethylmalonic acid, 2-naphthyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 2-naphthyl nonyl ester
SpectraBase Compound ID 4p2wVe6Ym1F
InChI InChI=1S/C26H36O4/c1-4-7-8-9-10-11-14-19-29-24(27)26(5-2,6-3)25(28)30-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20H,4-11,14,19H2,1-3H3
InChIKey JZFRISBRKLQZSZ-UHFFFAOYSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bgowe0AMuuL
Name Diethylmalonic acid, 2-naphthyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.261359635 u
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-4-7-8-9-10-11-14-19-29-24(27)26(5-2,6-3)25(28)30-23-18-17-21-15-12-13-16-22(21)20-23/h12-13,15-18,20H,4-11,14,19H2,1-3H3
InChIKey JZFRISBRKLQZSZ-UHFFFAOYSA-N
Molecular Weight 412.570 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC