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2-(4-(2-phenylhydrazinecarbothioamido)benzamido)acetic acid
SpectraBase Compound ID 5E1FDYT0zZm
InChI InChI=1S/C16H16N4O3S/c21-14(22)10-17-15(23)11-6-8-12(9-7-11)18-16(24)20-19-13-4-2-1-3-5-13/h1-9,19H,10H2,(H,17,23)(H,21,22)(H2,18,20,24)
InChIKey IRSDFFARFPJKCS-UHFFFAOYSA-N
Mol Weight 344.39 g/mol
Molecular Formula C16H16N4O3S
Exact Mass 344.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZMrI0PxnaW
Name 2-(4-(2-phenylhydrazinecarbothioamido)benzamido)acetic acid
Alternate Name(s) 2-[[oxo-[4-[[(phenylhydrazo)-sulfanylidenemethyl]amino]phenyl]methyl]amino]acetic acid 2-[[4-(anilinocarbamothioylamino)benzoyl]amino]acetic acid 2-[[4-(phenylazanylcarbamothioylamino)phenyl]carbonylamino]ethanoic acid
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Formula C16H16N4O3S
InChI InChI=1S/C16H16N4O3S/c21-14(22)10-17-15(23)11-6-8-12(9-7-11)18-16(24)20-19-13-4-2-1-3-5-13/h1-9,19H,10H2,(H,17,23)(H,21,22)(H2,18,20,24)
InChIKey IRSDFFARFPJKCS-UHFFFAOYSA-N
Molecular Weight 344.389 g/mol
SMILES N(C(Nc1ccc(C(NCC(=O)O)=O)cc1)=S)Nc1ccccc1
SPLASH splash10-0900-3900000000-bc42bfbc41e3be39bc33
Source of Spectrum EMC-64-119-11a
Wiley ID 1735537