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Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydrazone]
SpectraBase Compound ID Hg0pTS8oQj6
InChI InChI=1S/C18H19BrN2O5S/c1-4-25-18(22)13(3)20-21-16-10-7-14(19)11-17(16)26-27(23,24)15-8-5-12(2)6-9-15/h5-11,21H,4H2,1-3H3/b20-13-
InChIKey JSIUNSCVKDVGBJ-MOSHPQCFSA-N
Mol Weight 455.32 g/mol
Molecular Formula C18H19BrN2O5S
Exact Mass 454.019806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmNyAeZQy3j
Name Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydrazone]
Alternate Name(s) (E)-Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydeazone] (E)-Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydrazone] (Z)-Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydeazone] (Z)-Ethyl pyruvate 2-[4-bromo-2-(p-toluenesulfonyloxy)phenylhydrazone] ethyl (2Z)-2-[(4-bromo-2-{[(4-methylphenyl)sulfonyl]oxy}phenyl)hydrazono]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C18H19BrN2O5S
InChI InChI=1S/C18H19BrN2O5S/c1-4-25-18(22)13(3)20-21-16-10-7-14(19)11-17(16)26-27(23,24)15-8-5-12(2)6-9-15/h5-11,21H,4H2,1-3H3/b20-13-
InChIKey JSIUNSCVKDVGBJ-MOSHPQCFSA-N
Molecular Weight 455.323 g/mol
SMILES N(\N=C/(C(=O)OCC)C)c1c(OS(c2ccc(cc2)C)(=O)=O)cc(cc1)Br
SPLASH splash10-052b-0070900000-bda0c5ff753872c125e9
Source of Spectrum PS-54-60-44
Wiley ID 805218