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3-{[1'-(p-Chlorophenylhydrazono)-2'-oxopropan-1'-yl]mercapto}-propanoic acid
SpectraBase Compound ID 69EpFZDZCiq
InChI InChI=1S/C12H13ClN2O3S/c1-8(16)12(19-7-6-11(17)18)15-14-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,17,18)/b15-12+
InChIKey CVHVXZYCLVQKKJ-NTCAYCPXSA-N
Mol Weight 300.76 g/mol
Molecular Formula C12H13ClN2O3S
Exact Mass 300.033541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKCaEF8EDWB
Name 3-{[1'-(p-Chlorophenylhydrazono)-2'-oxopropan-1'-yl]mercapto}-propanoic acid
Alternate Name(s) (E)-3-((1-(2-(4-chlorophenyl)hydrazono)-2-oxopropyl)thio)propanoic acid 3-[[(1E)-1-[(4-chlorophenyl)hydrazinylidene]-2-oxopropyl]thio]propanoic acid 3-[(E)-C-acetyl-N-(4-chloroanilino)carbonimidoyl]sulfanylpropanoic acid 3-[(E)-N-[(4-chlorophenyl)amino]-C-ethanoyl-carbonimidoyl]sulfanylpropanoic acid
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Formula C12H13ClN2O3S
InChI InChI=1S/C12H13ClN2O3S/c1-8(16)12(19-7-6-11(17)18)15-14-10-4-2-9(13)3-5-10/h2-5,14H,6-7H2,1H3,(H,17,18)/b15-12+
InChIKey CVHVXZYCLVQKKJ-NTCAYCPXSA-N
Molecular Weight 300.760 g/mol
SMILES N(\N=C/(SCCC(=O)O)C(=O)C)c1ccc(cc1)Cl
SPLASH splash10-0udi-0906000000-97a70b125301b8b8a310
Source of Spectrum F5-3-2601-6c
Wiley ID 1732405