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3-{[(3Z)-2-Oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-[(E)-(3-nitrobenzylidene)amino]thiourea
SpectraBase Compound ID C8hzlbT7Uo4
InChI InChI=1S/C16H12N6O3S/c23-15-14(12-6-1-2-7-13(12)18-15)19-21-16(26)20-17-9-10-4-3-5-11(8-10)22(24)25/h1-9H,(H,18,19,23)(H2,20,21,26)/b17-9+
InChIKey XAOFLOJYDFQWCB-RQZCQDPDSA-N
Mol Weight 368.37 g/mol
Molecular Formula C16H12N6O3S
Exact Mass 368.069159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8MELtchNdks
Name 3-{[(3Z)-2-Oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-[(E)-(3-nitrobenzylidene)amino]thiourea
Appearance Yellow crystals
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Formula C16H12N6O3S
InChI InChI=1S/C16H12N6O3S/c23-15-14(12-6-1-2-7-13(12)18-15)19-21-16(26)20-17-9-10-4-3-5-11(8-10)22(24)25/h1-9H,(H,18,19,23)(H2,20,21,26)/b17-9+
InChIKey XAOFLOJYDFQWCB-RQZCQDPDSA-N
Instrument Name VG Autospec QMS 30
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2660
Molecular Weight 368.371 g/mol
SMILES N1c2c(\C(=N\NC(=S)N\N=C\c3cccc(c3)[N+]([O-])=O)C1=O)cccc2
SPLASH splash10-02t9-2932000000-c96cefccd84dbfb706f0
Source of Spectrum Y-54-963-5e
Wiley ID 1878010