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Diethylmalonic acid, hexyl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, hexyl 2-naphthyl ester
SpectraBase Compound ID Ly5j3OA2St4
InChI InChI=1S/C23H30O4/c1-4-7-8-11-16-26-21(24)23(5-2,6-3)22(25)27-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3
InChIKey PLZUOACTSSPGHJ-UHFFFAOYSA-N
Mol Weight 370.49 g/mol
Molecular Formula C23H30O4
Exact Mass 370.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1r7jMSwFGy
Name Diethylmalonic acid, hexyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 370.214409442 u
Formula C23H30O4
InChI InChI=1S/C23H30O4/c1-4-7-8-11-16-26-21(24)23(5-2,6-3)22(25)27-20-15-14-18-12-9-10-13-19(18)17-20/h9-10,12-15,17H,4-8,11,16H2,1-3H3
InChIKey PLZUOACTSSPGHJ-UHFFFAOYSA-N
Molecular Weight 370.489 g/mol
SMILES CCC(C(OCCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC