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3-{[2'-Oxo-1'-(phenylhydrazono)propan-1-yl]mercapto}-propanoic acid
SpectraBase Compound ID 2l9A1E9SyDQ
InChI InChI=1S/C12H14N2O3S/c1-9(15)12(18-8-7-11(16)17)14-13-10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,17)/b14-12+
InChIKey HRCPVDKLUJYFNF-WYMLVPIESA-N
Mol Weight 266.31 g/mol
Molecular Formula C12H14N2O3S
Exact Mass 266.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LB5kCq9jGI4
Name 3-{[2'-Oxo-1'-(phenylhydrazono)propan-1-yl]mercapto}-propanoic acid
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Formula C12H14N2O3S
InChI InChI=1S/C12H14N2O3S/c1-9(15)12(18-8-7-11(16)17)14-13-10-5-3-2-4-6-10/h2-6,13H,7-8H2,1H3,(H,16,17)/b14-12+
InChIKey HRCPVDKLUJYFNF-WYMLVPIESA-N
Molecular Weight 266.315 g/mol
SMILES N(\N=C/(SCCC(=O)O)C(=O)C)c1ccccc1
SPLASH splash10-014l-9880000000-d480b1b57ec5cef0b33a
Source of Spectrum F5-3-2601-6a
Synonyms (E)-3-((2-oxo-1-(2-phenylhydrazono)propyl)thio)propanoic acid 3-[[(1E)-2-oxo-1-(phenylhydrazinylidene)propyl]thio]propanoic acid 3-[(E)-C-acetyl-N-anilinocarbonimidoyl]sulfanylpropanoic acid 3-[(E)-C-acetyl-N-anilino-carbonimidoyl]sulfanylpropanoic acid 3-[(E)-C-ethanoyl-N-phenylazanyl-carbonimidoyl]sulfanylpropanoic acid
Wiley ID 1732407