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Diethylmalonic acid, 5-methyl-2-methoxyphenyl nonyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 5-methyl-2-methoxyphenyl nonyl ester
SpectraBase Compound ID D3xa6eyE1Og
InChI InChI=1S/C24H38O5/c1-6-9-10-11-12-13-14-17-28-22(25)24(7-2,8-3)23(26)29-21-18-19(4)15-16-20(21)27-5/h15-16,18H,6-14,17H2,1-5H3
InChIKey OXUMRPFNDYOQSU-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwJiPf4K30x
Name Diethylmalonic acid, 5-methyl-2-methoxyphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 406.271924319 u
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-6-9-10-11-12-13-14-17-28-22(25)24(7-2,8-3)23(26)29-21-18-19(4)15-16-20(21)27-5/h15-16,18H,6-14,17H2,1-5H3
InChIKey OXUMRPFNDYOQSU-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC=1C=C(C)C=CC1OC)=O