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Diethylmalonic acid, heptyl 1-naphthyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl 1-naphthyl ester
SpectraBase Compound ID C0cnLROgPU0
InChI InChI=1S/C24H32O4/c1-4-7-8-9-12-18-27-22(25)24(5-2,6-3)23(26)28-21-17-13-15-19-14-10-11-16-20(19)21/h10-11,13-17H,4-9,12,18H2,1-3H3
InChIKey ZDBPLWNQZAEHHZ-UHFFFAOYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C24H32O4
Exact Mass 384.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlfrLHFZ144
Name Diethylmalonic acid, heptyl 1-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-4-7-8-9-12-18-27-22(25)24(5-2,6-3)23(26)28-21-17-13-15-19-14-10-11-16-20(19)21/h10-11,13-17H,4-9,12,18H2,1-3H3
InChIKey ZDBPLWNQZAEHHZ-UHFFFAOYSA-N
Molecular Weight 384.516 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=C2C(=CC=C1)C=CC=C2)=O)CC