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Methyl 2-{[(E)-1-(ethylsulfanyl)-3-oxo-3-(4-chlorophenyl)-1-propenyl]amino}acetate
SpectraBase Compound ID ICGASBMVXFn
InChI InChI=1S/C14H16ClNO3S/c1-3-20-13(16-9-14(18)19-2)8-12(17)10-4-6-11(15)7-5-10/h4-8,16H,3,9H2,1-2H3/b13-8+
InChIKey DDQHVGDVMGCORM-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 HpwUN3vs7pD
Name Methyl 2-{[(E)-1-(ethylsulfanyl)-3-oxo-3-(4-chlorophenyl)-1-propenyl]amino}acetate
Alternate Name(s) Methyl {[(1E)-3-(4-chlorophenyl)-1-(ethylsulfanyl)-3-oxo-1-propenyl]amino}acetate
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Formula C14H16ClNO3S
InChI InChI=1S/C14H16ClNO3S/c1-3-20-13(16-9-14(18)19-2)8-12(17)10-4-6-11(15)7-5-10/h4-8,16H,3,9H2,1-2H3/b13-8+
InChIKey DDQHVGDVMGCORM-MDWZMJQESA-N
Molecular Weight 313.799 g/mol
SMILES N(\C(=C/C(c1ccc(cc1)Cl)=O)SCC)CC(=O)OC
SPLASH splash10-000i-0952000000-25e84a49b234a7361570
Source of Spectrum F-62-1713-4
Wiley ID 1632265