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HSDCBIHJEGDMDO-BJMVGYQFSA-N
SpectraBase Compound ID 9hHgzhkLlgN
InChI InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey HSDCBIHJEGDMDO-BJMVGYQFSA-N
Mol Weight 224.24 g/mol
Molecular Formula C8H8N4O2S
Exact Mass 224.036797 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOXpJLxvzvC
Name (E)-1-(4-Nitrobenzylidene)thiosemicarbazide
Alternate Name(s) [(E)-(4-nitrophenyl)methylideneamino]thiourea [(E)-(4-nitrophenyl)methyleneamino]thiourea 1-[(E)-(4-nitrophenyl)methylideneamino]thiourea
Comments Less than 3 mono-isotopic peaks
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Formula C8H8N4O2S
InChI InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-1-3-7(4-2-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey HSDCBIHJEGDMDO-BJMVGYQFSA-N
Molecular Weight 224.238 g/mol
SMILES N(C(=S)N)\N=C\c1ccc(N(=O)=O)cc1
SPLASH splash10-00di-0090000000-c49b713a6a705eed08d8
Source of Spectrum F2-46-5477-3g
Wiley ID 1690237