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Diethylmalonic acid, heptyl 2-naphthyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, heptyl 2-naphthyl ester
SpectraBase Compound ID tXhVMwgTC2
InChI InChI=1S/C24H32O4/c1-4-7-8-9-12-17-27-22(25)24(5-2,6-3)23(26)28-21-16-15-19-13-10-11-14-20(19)18-21/h10-11,13-16,18H,4-9,12,17H2,1-3H3
InChIKey FFRBTGNEAFPQPW-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 8d7xSXJ8oQ6
Name Diethylmalonic acid, heptyl 2-naphthyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.230059506 u
Formula C24H32O4
InChI InChI=1S/C24H32O4/c1-4-7-8-9-12-17-27-22(25)24(5-2,6-3)23(26)28-21-16-15-19-13-10-11-14-20(19)18-21/h10-11,13-16,18H,4-9,12,17H2,1-3H3
InChIKey FFRBTGNEAFPQPW-UHFFFAOYSA-N
Molecular Weight 384.516 g/mol
SMILES CCC(C(OCCCCCCC)=O)(C(OC1=CC2=C(C=C1)C=CC=C2)=O)CC