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(4Z)-4-(3-chlorobenzylidene)-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
SpectraBase Compound ID G37DRiAMJ5g
InChI InChI=1S/C18H20ClNO3/c1-11(2)10-20-12(3)16(18(22)23-4)15(17(20)21)9-13-6-5-7-14(19)8-13/h5-9,11H,10H2,1-4H3/b15-9-
InChIKey URFTYQCGYIEEIK-DHDCSXOGSA-N
Mol Weight 333.82 g/mol
Molecular Formula C18H20ClNO3
Exact Mass 333.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95bagosWb9t
Name (4Z)-4-(3-chlorobenzylidene)-1-isobutyl-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
Alternate Name(s) (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxo-3-pyrrolecarboxylic acid methyl ester Methyl (4Z)-4-[(3-chlorophenyl)methylene]-1-isobutyl-2-methyl-5-oxo-pyrrole-3-carboxylate Methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxidanylidene-pyrrole-3-carboxylate Methyl (4Z)-4-[(3-chlorophenyl)methylidene]-2-methyl-1-(2-methylpropyl)-5-oxopyrrole-3-carboxylate
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Formula C18H20ClNO3
InChI InChI=1S/C18H20ClNO3/c1-11(2)10-20-12(3)16(18(22)23-4)15(17(20)21)9-13-6-5-7-14(19)8-13/h5-9,11H,10H2,1-4H3/b15-9-
InChIKey URFTYQCGYIEEIK-DHDCSXOGSA-N
Molecular Weight 333.815 g/mol
SMILES C=1(\C(C(=O)N(C1C)CC(C)C)=C\c1cc(Cl)ccc1)C(=O)OC
SPLASH splash10-0536-8952000000-e3c88c71692dec6b8266
Wiley ID 1453618