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2-Methyl-5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid ethyl ester
SpectraBase Compound ID F1VWFOXpVNp
InChI InChI=1S/C21H23NO5/c1-4-27-20(24)21(3,17-9-11-18(12-10-17)22(25)26)14-13-19(23)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3
InChIKey FKIYTTIAHRFZSX-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C21H23NO5
Exact Mass 369.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lyXW88DLbX
Name 2-Methyl-5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid ethyl ester
Alternate Name(s) 5-keto-2-methyl-2-(4-nitrophenyl)-5-(p-tolyl)valeric acid ethyl ester Ethyl 2-methyl-2-(4-nitrophenyl)-5-oxo-5-(p-tolyl)pentanoate Ethyl 2-methyl-5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxidanylidene-pentanoate Ethyl 2-methyl-5-(4-methylphenyl)-2-(4-nitrophenyl)-5-oxopentanoate
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Formula C21H23NO5
InChI InChI=1S/C21H23NO5/c1-4-27-20(24)21(3,17-9-11-18(12-10-17)22(25)26)14-13-19(23)16-7-5-15(2)6-8-16/h5-12H,4,13-14H2,1-3H3
InChIKey FKIYTTIAHRFZSX-UHFFFAOYSA-N
Molecular Weight 369.417 g/mol
SMILES c1(N(=O)=O)ccc(C(C(=O)OCC)(CCC(c2ccc(cc2)C)=O)C)cc1
SPLASH splash10-014m-4900000000-02f9adfad0dc01bb9ea2
Source of Spectrum SK-27-1458-3
Wiley ID 867746