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5,6,8-TRICHLORO-7-OXO-3,7-DIHYDRO-2H-QUINOXALINE-1-CARBOTHIOIC-ACID-BENZYL-AMIDE
SpectraBase Compound ID 7dp02A9JYZC
InChI InChI=1S/C16H12Cl3N3OS/c17-10-11(18)15(23)12(19)14-13(10)20-6-7-22(14)16(24)21-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,21,24)
InChIKey DFUUNDRPLLRGOU-UHFFFAOYSA-N
Mol Weight 400.71 g/mol
Molecular Formula C16H12Cl3N3OS
Exact Mass 398.976666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f6Lq45DjE
Name 5,6,8-Trichloro-7-oxo-N-benzyl-2,3-dihydroquinoxaline-1(7H)-carbothioamide
Alternate Name(s) N-benzyl-5,6,8-trichloro-7-oxo-3,7-dihydro-1(2H)-quinoxalinecarbothioamide 5,6,8-trichloro-7-oxo-N-(phenylmethyl)-2,3-dihydroquinoxaline-1-carbothioamide N-benzyl-5,6,8-trichloro-7-oxo-2,3-dihydroquinoxaline-1-carbothioamide 5,6,8-tris(chloranyl)-7-oxidanylidene-N-(phenylmethyl)-2,3-dihydroquinoxaline-1-carbothioamide
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Formula C16H12Cl3N3OS
InChI InChI=1S/C16H12Cl3N3OS/c17-10-11(18)15(23)12(19)14-13(10)20-6-7-22(14)16(24)21-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,21,24)
InChIKey DFUUNDRPLLRGOU-UHFFFAOYSA-N
Molecular Weight 400.711 g/mol
SMILES N(C(N1CCN=C2C(=C(C(C(=C12)Cl)=O)Cl)Cl)=S)Cc1ccccc1
SPLASH splash10-00ov-9111100000-b06c5a06264bb73aeff2
Source of Spectrum AJ-43-474-14
Wiley ID 1594000