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Diethylmalonic acid, 2-naphthyl pentyl ester

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Diethylmalonic acid, 2-naphthyl pentyl ester
SpectraBase Compound ID FChemNlpQRB
InChI InChI=1S/C22H28O4/c1-4-7-10-15-25-20(23)22(5-2,6-3)21(24)26-19-14-13-17-11-8-9-12-18(17)16-19/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKey SYJVKEKSZSDAPP-UHFFFAOYSA-N
Mol Weight 356.46 g/mol
Molecular Formula C22H28O4
Exact Mass 356.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DO9ofLfNe4M
Name Diethylmalonic acid, 2-naphthyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.198759378 u
Formula C22H28O4
InChI InChI=1S/C22H28O4/c1-4-7-10-15-25-20(23)22(5-2,6-3)21(24)26-19-14-13-17-11-8-9-12-18(17)16-19/h8-9,11-14,16H,4-7,10,15H2,1-3H3
InChIKey SYJVKEKSZSDAPP-UHFFFAOYSA-N
Molecular Weight 356.462 g/mol
SMILES CCC(C(OCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC