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3-{[1'-(p-Methylphenylhydrazono)-2'-oxopropan-1'-yl]mercapto}-propanoic acid
SpectraBase Compound ID 7Qj8pyuJvQR
InChI InChI=1S/C13H16N2O3S/c1-9-3-5-11(6-4-9)14-15-13(10(2)16)19-8-7-12(17)18/h3-6,14H,7-8H2,1-2H3,(H,17,18)/b15-13+
InChIKey XGSRZWDXLSBMCK-FYWRMAATSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LGA3yJUZIKF
Name 3-{[1'-(p-Methylphenylhydrazono)-2'-oxopropan-1'-yl]mercapto}-propanoic acid
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Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-9-3-5-11(6-4-9)14-15-13(10(2)16)19-8-7-12(17)18/h3-6,14H,7-8H2,1-2H3,(H,17,18)/b15-13+
InChIKey XGSRZWDXLSBMCK-FYWRMAATSA-N
Molecular Weight 280.342 g/mol
SMILES N(\N=C/(SCCC(=O)O)C(=O)C)c1ccc(cc1)C
SPLASH splash10-001i-4960000000-fae00638e0661ff4b1d7
Source of Spectrum F5-3-2601-6b
Synonyms (E)-3-((2-oxo-1-(2-(p-tolyl)hydrazono)propyl)thio)propanoic acid 3-[[(1E)-1-[(4-methylphenyl)hydrazinylidene]-2-oxopropyl]thio]propanoic acid 3-[(E)-C-acetyl-N-(4-methylanilino)carbonimidoyl]sulfanylpropanoic acid 3-[(E)-C-ethanoyl-N-[(4-methylphenyl)amino]carbonimidoyl]sulfanylpropanoic acid
Wiley ID 1732406