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N-[(1E)-1-(1H-1,2,3-benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadienyl]-4-chloroaniline
SpectraBase Compound ID FT0lar5naNk
InChI InChI=1S/C16H9Cl4N5O2/c17-9-5-7-10(8-6-9)21-16(14(25(26)27)13(18)15(19)20)24-12-4-2-1-3-11(12)22-23-24/h1-8,21H/b16-14+
InChIKey BYYRECCGAUIATI-JQIJEIRASA-N
Mol Weight 445.1 g/mol
Molecular Formula C16H9Cl4N5O2
Exact Mass 442.951035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K07ntJeHm6b
Name 1-(1H-Benzotriazol-1-yl)-3,4,4-trichloro-1-(4-chlorophenylamino)-2-nitrobuta-1,3-diene
Alternate Name(s) N-[(1E)-1-(1-benzotriazolyl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-chloroaniline N-[(1E)-1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-chloroaniline N-[(1E)-1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-buta-1,3-dienyl]-4-chloro-aniline N-[(1E)-1-(benzotriazol-1-yl)-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]-4-chloranyl-aniline
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Formula C16H9Cl4N5O2
InChI InChI=1S/C16H9Cl4N5O2/c17-9-5-7-10(8-6-9)21-16(14(25(26)27)13(18)15(19)20)24-12-4-2-1-3-11(12)22-23-24/h1-8,21H/b16-14+
InChIKey BYYRECCGAUIATI-JQIJEIRASA-N
Molecular Weight 445.093 g/mol
SMILES N(\C([n]1nnc2c1cccc2)=C\(C(=C(Cl)Cl)Cl)N(=O)=O)c1ccc(cc1)Cl
SPLASH splash10-0006-9000000000-a1b43737a5a83a0c392f
Source of Spectrum F4-40-307-5
Wiley ID 1670189