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Ethyl-2-(1'-benzylamino-1'-methylthiomethylene)-3-oxo-butanoic ester
SpectraBase Compound ID 3Bg2jIInoqw
InChI InChI=1S/C15H19NO3S/c1-4-19-15(18)13(11(2)17)14(20-3)16-10-12-8-6-5-7-9-12/h5-9,16H,4,10H2,1-3H3/b14-13+
InChIKey ZMBDNDZNGAQUDI-BUHFOSPRSA-N
Mol Weight 293.38 g/mol
Molecular Formula C15H19NO3S
Exact Mass 293.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GbHYyYMm9G
Name Ethyl-2-(1'-benzylamino-1'-methylthiomethylene)-3-oxo-butanoic ester
Alternate Name(s) (E)-ethyl 2-((benzylamino)(methylthio)methylene)-3-oxobutanoate (2E)-2-[(methylthio)-[(phenylmethyl)amino]methylidene]-3-oxobutanoic acid ethyl ester Ethyl (2E)-2-[(benzylamino)-methylsulfanylmethylidene]-3-oxobutanoate Ethyl (2E)-2-[(benzylamino)-methylsulfanyl-methylene]-3-oxo-butanoate Ethyl (2E)-2-[methylsulfanyl-[(phenylmethyl)amino]methylidene]-3-oxidanylidene-butanoate
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Formula C15H19NO3S
InChI InChI=1S/C15H19NO3S/c1-4-19-15(18)13(11(2)17)14(20-3)16-10-12-8-6-5-7-9-12/h5-9,16H,4,10H2,1-3H3/b14-13+
InChIKey ZMBDNDZNGAQUDI-BUHFOSPRSA-N
Literature Reference DOI 10.1002/cjoc.20010190213
Molecular Weight 293.381 g/mol
SMILES N(\C(=C\(C(=O)C)C(OCC)=O)SC)Cc1ccccc1
SPLASH splash10-0006-9020000000-14325aaeac7e83808d1c
Source of Spectrum CJC-19-186-2
Wiley ID 1774736