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Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate
SpectraBase Compound ID 5ikSW8NxmJ8
InChI InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
InChIKey RYOKCHIAMHPMLV-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H39NO5
Exact Mass 433.282823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QAFHe7UGjU
Name Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate
Alternate Name(s) 2-Acetamido-2-[2-(4-octylphenyl)ethyl]malonic acid diethyl ester 2-Acetamido-2-[2-(4-octylphenyl)ethyl]propanedioic acid diethyl ester Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]propanedioate
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Formula C25H39NO5
InChI InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
InChIKey RYOKCHIAMHPMLV-UHFFFAOYSA-N
Molecular Weight 433.589 g/mol
SMILES N(C(C(=O)OCC)(C(=O)OCC)CCc1ccc(cc1)CCCCCCCC)C(C)=O
SPLASH splash10-00xr-1960000000-0000377d3d559f30029a
Source of Spectrum F-69-3952-9
Wiley ID 1595146