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Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester
SpectraBase Compound ID 4Dk4CMjze2e
InChI InChI=1S/C23H35BrO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-19-15-14-18(24)17-20(19)27-4/h14-15,17H,5-13,16H2,1-4H3
InChIKey NIPXWOGZCVTIDX-UHFFFAOYSA-N
Mol Weight 471.4 g/mol
Molecular Formula C23H35BrO5
Exact Mass 470.166787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FhLVTvwHe0t
Name Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 470.166787222 u
Formula C23H35BrO5
InChI InChI=1S/C23H35BrO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-19-15-14-18(24)17-20(19)27-4/h14-15,17H,5-13,16H2,1-4H3
InChIKey NIPXWOGZCVTIDX-UHFFFAOYSA-N
Molecular Weight 471.432 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)Br)=O