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Diethylmalonic acid, 1-naphthyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 1-naphthyl nonyl ester
SpectraBase Compound ID HlLLPIMJiNi
InChI InChI=1S/C26H36O4/c1-4-7-8-9-10-11-14-20-29-24(27)26(5-2,6-3)25(28)30-23-19-15-17-21-16-12-13-18-22(21)23/h12-13,15-19H,4-11,14,20H2,1-3H3
InChIKey RPAKTAZNXWILDK-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 Lmlm2Hc0QLf
Name Diethylmalonic acid, 1-naphthyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.261359635 u
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-4-7-8-9-10-11-14-20-29-24(27)26(5-2,6-3)25(28)30-23-19-15-17-21-16-12-13-18-22(21)23/h12-13,15-19H,4-11,14,20H2,1-3H3
InChIKey RPAKTAZNXWILDK-UHFFFAOYSA-N
Molecular Weight 412.570 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC