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1,1-Bis(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-diene
SpectraBase Compound ID LUCYxIfln89
InChI InChI=1S/C16H8Cl3N7O2/c17-13(15(18)19)14(26(27)28)16(24-11-7-3-1-5-9(11)20-22-24)25-12-8-4-2-6-10(12)21-23-25/h1-8H
InChIKey IJMIRMDQNPQEDL-UHFFFAOYSA-N
Mol Weight 436.65 g/mol
Molecular Formula C16H8Cl3N7O2
Exact Mass 434.980506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FfArVmlc46F
Name 1,1-Bis(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-diene
Alternate Name(s) 1-[1-(1-benzotriazolyl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]benzotriazole 1-[1-(benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]benzotriazole 1-[1-(benzotriazol-1-yl)-3,4,4-tris(chloranyl)-2-nitro-buta-1,3-dienyl]benzotriazole
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Formula C16H8Cl3N7O2
InChI InChI=1S/C16H8Cl3N7O2/c17-13(15(18)19)14(26(27)28)16(24-11-7-3-1-5-9(11)20-22-24)25-12-8-4-2-6-10(12)21-23-25/h1-8H
InChIKey IJMIRMDQNPQEDL-UHFFFAOYSA-N
Molecular Weight 436.646 g/mol
SMILES C([n]1nnc2c1cccc2)([n]1nnc2c1cccc2)=C(C(=C(Cl)Cl)Cl)N(=O)=O
SPLASH splash10-0udi-9000000000-72e567af69f5b646d9c9
Source of Spectrum F4-40-307-1
Wiley ID 1670193