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Diethylmalonic acid, 4-acetylphenyl nonyl ester

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Diethylmalonic acid, 4-acetylphenyl nonyl ester
SpectraBase Compound ID 3LVgRiVCo3Q
InChI InChI=1S/C24H36O5/c1-5-8-9-10-11-12-13-18-28-22(26)24(6-2,7-3)23(27)29-21-16-14-20(15-17-21)19(4)25/h14-17H,5-13,18H2,1-4H3
InChIKey USWHFHZUTLOROR-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EUvH5geFr8
Name Diethylmalonic acid, 4-acetylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 404.256274254 u
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-5-8-9-10-11-12-13-18-28-22(26)24(6-2,7-3)23(27)29-21-16-14-20(15-17-21)19(4)25/h14-17H,5-13,18H2,1-4H3
InChIKey USWHFHZUTLOROR-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES CCC(C(OCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)C(C)=O)=O)CC