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Diethylmalonic acid, 3-methoxyphenyl nonyl ester

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Diethylmalonic acid, 3-methoxyphenyl nonyl ester
SpectraBase Compound ID AG00DxBXGrO
InChI InChI=1S/C23H36O5/c1-5-8-9-10-11-12-13-17-27-21(24)23(6-2,7-3)22(25)28-20-16-14-15-19(18-20)26-4/h14-16,18H,5-13,17H2,1-4H3
InChIKey ABJUXKSMMRGBAJ-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFE0D3MGs2t
Name Diethylmalonic acid, 3-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 392.256274254 u
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-5-8-9-10-11-12-13-17-27-21(24)23(6-2,7-3)22(25)28-20-16-14-15-19(18-20)26-4/h14-16,18H,5-13,17H2,1-4H3
InChIKey ABJUXKSMMRGBAJ-UHFFFAOYSA-N
Molecular Weight 392.536 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC1=CC(OC)=CC=C1)=O