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1,1'-(1,7-Heptamethylene)-2,2'-bis(trichloroacetyl)-4,4'-dinitrobis(imidazole)
SpectraBase Compound ID 8T7wLg5408e
InChI InChI=1S/C17H16Cl6N6O6/c18-16(19,20)12(30)14-24-10(28(32)33)8-26(14)6-4-2-1-3-5-7-27-9-11(29(34)35)25-15(27)13(31)17(21,22)23/h8-9H,1-7H2
InChIKey KLDWWUROYBYABU-UHFFFAOYSA-N
Mol Weight 613.1 g/mol
Molecular Formula C17H16Cl6N6O6
Exact Mass 609.926248 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HpjvAHm9a9a
Name 1,1'-(1,7-Heptamethylene)-2,2'-bis(trichloroacetyl)-4,4'-dinitrobis(imidazole)
Comments Less than 3 mono-isotopic peaks
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Formula C17H16Cl6N6O6
InChI InChI=1S/C17H16Cl6N6O6/c18-16(19,20)12(30)14-24-10(28(32)33)8-26(14)6-4-2-1-3-5-7-27-9-11(29(34)35)25-15(27)13(31)17(21,22)23/h8-9H,1-7H2
InChIKey KLDWWUROYBYABU-UHFFFAOYSA-N
Molecular Weight 613.069 g/mol
SMILES c1(nc(C(C(Cl)(Cl)Cl)=O)[n](c1)CCCCCCC[n]1c(nc(c1)N(=O)=O)C(C(Cl)(Cl)Cl)=O)N(=O)=O
SPLASH splash10-0a4i-9000100000-3be310f25e57cfd17889
Source of Spectrum J-65-1106-13
Synonyms 2,2,2-trichloro-1-[4-nitro-1-[7-[4-nitro-2-(2,2,2-trichloro-1-oxoethyl)-1-imidazolyl]heptyl]-2-imidazolyl]ethanone 2,2,2-tris(chloranyl)-1-[4-nitro-1-[7-[4-nitro-2-[2,2,2-tris(chloranyl)ethanoyl]imidazol-1-yl]heptyl]imidazol-2-yl]ethanone
Wiley ID 1532120