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2-[[(E)-3-(4-chlorophenyl)-1-(methylthio)-3-oxoprop-1-enyl]amino]acetic acid ethyl ester
SpectraBase Compound ID 6yf4aKkgPy4
InChI InChI=1S/C14H16ClNO3S/c1-3-19-14(18)9-16-13(20-2)8-12(17)10-4-6-11(15)7-5-10/h4-8,16H,3,9H2,1-2H3/b13-8+
InChIKey LKKVVDVOYYGUJF-MDWZMJQESA-N
Mol Weight 313.8 g/mol
Molecular Formula C14H16ClNO3S
Exact Mass 313.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Clfl4etkpi8
Name 2-[[(E)-3-(4-chlorophenyl)-1-(methylthio)-3-oxoprop-1-enyl]amino]acetic acid ethyl ester
Alternate Name(s) 2-[[(E)-3-(4-chlorophenyl)-3-keto-1-(methylthio)prop-1-enyl]amino]acetic acid ethyl ester Ethyl 2-[[(E)-3-(4-chlorophenyl)-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]amino]ethanoate Ethyl 2-[[(E)-3-(4-chlorophenyl)-1-methylsulfanyl-3-oxo-prop-1-enyl]amino]acetate
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Formula C14H16ClNO3S
InChI InChI=1S/C14H16ClNO3S/c1-3-19-14(18)9-16-13(20-2)8-12(17)10-4-6-11(15)7-5-10/h4-8,16H,3,9H2,1-2H3/b13-8+
InChIKey LKKVVDVOYYGUJF-MDWZMJQESA-N
Molecular Weight 313.799 g/mol
SMILES N(\C(=C/C(c1ccc(cc1)Cl)=O)SC)CC(=O)OCC
SPLASH splash10-000i-0932000000-622ad2f28bdd97b99570
Source of Spectrum F-62-1713-4
Wiley ID 1632271