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3-Nitrobenzaldehyde thiosemicarbazone
SpectraBase Compound ID 6xsahLRXDpD
InChI InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-2-1-3-7(4-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey LLRJOBJZEOGDLA-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 LUnvkyQk9d3
Name 3-Nitrobenzaldehyde thiosemicarbazone
Alternate Name(s) (E)-1-(3-Nitrobenzylidene)thiosemicarbazide Hydrazinecarbothioamide, 2-[(3-nitrophenyl)methylene]- 1-[(E)-(3-nitrophenyl)methylideneamino]thiourea [(E)-(3-nitrobenzylidene)amino]thiourea [(E)-(3-nitrophenyl)methyleneamino]thiourea [(E)-(3-nitrophenyl)methylideneamino]thiourea
CAS Registry Number 5706-76-3
Comments Less than 3 mono-isotopic peaks
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Formula C8H8N4O2S
InChI InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-2-1-3-7(4-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+
InChIKey LLRJOBJZEOGDLA-BJMVGYQFSA-N
Molecular Weight 224.238 g/mol
SMILES N(C(=S)N)\N=C\c1cc(N(=O)=O)ccc1
SPLASH splash10-00di-0090000000-c49b713a6a705eed08d8
Source of Spectrum F2-46-5477-3f
Wiley ID 1690238