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5-(4-Chlorophenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid methyl ester
SpectraBase Compound ID 89XczYhLyao
InChI InChI=1S/C18H16ClNO5/c1-25-18(22)16(12-4-8-15(9-5-12)20(23)24)10-11-17(21)13-2-6-14(19)7-3-13/h2-9,16H,10-11H2,1H3
InChIKey JCLGRWUBGHKFRW-UHFFFAOYSA-N
Mol Weight 361.78 g/mol
Molecular Formula C18H16ClNO5
Exact Mass 361.0717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7COQvu42gCq
Name 5-(4-Chlorophenyl)-2-(4-nitrophenyl)-5-oxopentanoic acid methyl ester
Alternate Name(s) 5-(4-Chlorophenyl)-5-keto-2-(4-nitrophenyl)valeric acid methyl ester Methyl 5-(4-chlorophenyl)-2-(4-nitrophenyl)-5-oxidanylidene-pentanoate Methyl 5-(4-chlorophenyl)-2-(4-nitrophenyl)-5-oxo-pentanoate
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Formula C18H16ClNO5
InChI InChI=1S/C18H16ClNO5/c1-25-18(22)16(12-4-8-15(9-5-12)20(23)24)10-11-17(21)13-2-6-14(19)7-3-13/h2-9,16H,10-11H2,1H3
InChIKey JCLGRWUBGHKFRW-UHFFFAOYSA-N
Molecular Weight 361.781 g/mol
SMILES c1(N(=O)=O)ccc(C(C(=O)OC)CCC(c2ccc(cc2)Cl)=O)cc1
SPLASH splash10-0f79-0900000000-ff232bdba371b4f79371
Source of Spectrum SK-27-1458-3
Wiley ID 867745