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1,1'-(1,5-Pentamethylene)-2,2'-bis(trichloroacetyl)bis(imidazole)
SpectraBase Compound ID 40TC8AYsAtH
InChI InChI=1S/C15H14Cl6N4O2/c16-14(17,18)10(26)12-22-4-8-24(12)6-2-1-3-7-25-9-5-23-13(25)11(27)15(19,20)21/h4-5,8-9H,1-3,6-7H2
InChIKey HEBGXWHYSADVEE-UHFFFAOYSA-N
Mol Weight 495.0 g/mol
Molecular Formula C15H14Cl6N4O2
Exact Mass 491.924792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IM29ffSrI
Name 1,1'-(1,5-Pentamethylene)-2,2'-bis(trichloroacetyl)bis(imidazole)
Alternate Name(s) 2,2,2-trichloro-1-[1-[5-[2-(2,2,2-trichloro-1-oxoethyl)-1-imidazolyl]pentyl]-2-imidazolyl]ethanone 2,2,2-tris(chloranyl)-1-[1-[5-[2-[2,2,2-tris(chloranyl)ethanoyl]imidazol-1-yl]pentyl]imidazol-2-yl]ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C15H14Cl6N4O2
InChI InChI=1S/C15H14Cl6N4O2/c16-14(17,18)10(26)12-22-4-8-24(12)6-2-1-3-7-25-9-5-23-13(25)11(27)15(19,20)21/h4-5,8-9H,1-3,6-7H2
InChIKey HEBGXWHYSADVEE-UHFFFAOYSA-N
Molecular Weight 495.021 g/mol
SMILES c1(C(C(Cl)(Cl)Cl)=O)[n](ccn1)CCCCC[n]1c(C(C(Cl)(Cl)Cl)=O)ncc1
SPLASH splash10-0a6r-9007000000-a3a4835d82003013be1d
Source of Spectrum J-65-1106-10
Wiley ID 1532123