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N1-[1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]benzamidine
SpectraBase Compound ID BGwZVluTu5l
InChI InChI=1S/C17H11Cl3N6O2/c18-13(15(19)20)14(26(27)28)17(22-16(21)10-6-2-1-3-7-10)25-12-9-5-4-8-11(12)23-24-25/h1-9H,(H2,21,22)/b17-14+
InChIKey JLRBUIOCKONRCX-SAPNQHFASA-N
Mol Weight 437.67 g/mol
Molecular Formula C17H11Cl3N6O2
Exact Mass 436.000907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnhnGCWsrHH
Name N1-[1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]benzamidine
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Formula C17H11Cl3N6O2
InChI InChI=1S/C17H11Cl3N6O2/c18-13(15(19)20)14(26(27)28)17(22-16(21)10-6-2-1-3-7-10)25-12-9-5-4-8-11(12)23-24-25/h1-9H,(H2,21,22)/b17-14+
InChIKey JLRBUIOCKONRCX-SAPNQHFASA-N
Molecular Weight 437.674 g/mol
SMILES N(\C([n]1nnc2c1cccc2)=C\(C(=C(Cl)Cl)Cl)N(=O)=O)C(=N)c1ccccc1
SPLASH splash10-004i-9000000000-e79dcc9869a8ec44eec7
Source of Spectrum F4-40-308-11
Wiley ID 1670184