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5-(4-Methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid ethyl ester
SpectraBase Compound ID 9B6K1oZBjBT
InChI InChI=1S/C20H21NO5/c1-3-26-20(23)18(15-8-10-17(11-9-15)21(24)25)12-13-19(22)16-6-4-14(2)5-7-16/h4-11,18H,3,12-13H2,1-2H3
InChIKey PDCOUAVEAHSWAF-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C20H21NO5
Exact Mass 355.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCVZmfKlkCb
Name 5-(4-Methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid ethyl ester
Alternate Name(s) 5-keto-2-(4-nitrophenyl)-5-(p-tolyl)valeric acid ethyl ester Ethyl 2-(4-nitrophenyl)-5-oxo-5-(p-tolyl)pentanoate Ethyl 5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxidanylidene-pentanoate Ethyl 5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoate
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Formula C20H21NO5
InChI InChI=1S/C20H21NO5/c1-3-26-20(23)18(15-8-10-17(11-9-15)21(24)25)12-13-19(22)16-6-4-14(2)5-7-16/h4-11,18H,3,12-13H2,1-2H3
InChIKey PDCOUAVEAHSWAF-UHFFFAOYSA-N
Molecular Weight 355.390 g/mol
SMILES c1(N(=O)=O)ccc(C(C(=O)OCC)CCC(c2ccc(cc2)C)=O)cc1
SPLASH splash10-0159-2900000000-465e9c26e3888fa0c3d4
Source of Spectrum SK-27-1458-3
Wiley ID 867748