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1,1'-(1,5-Pentylidene)-2,2'-bis(trichloroacetyl-4,4'dinitrobis(pyrrole)
SpectraBase Compound ID CNe42jaGwHx
InChI InChI=1S/C17H14Cl6N4O6/c18-16(19,20)14(28)12-6-10(26(30)31)8-24(12)4-2-1-3-5-25-9-11(27(32)33)7-13(25)15(29)17(21,22)23/h6-9H,1-5H2
InChIKey KDZAINZHCQHXTE-UHFFFAOYSA-N
Mol Weight 583.0 g/mol
Molecular Formula C17H14Cl6N4O6
Exact Mass 579.90445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ef3JdoefmHJ
Name 1,1'-(1,5-Pentylidene)-2,2'-bis(trichloroacetyl-4,4'dinitrobis(pyrrole)
Alternate Name(s) 2,2,2-trichloro-1-(4-nitro-1-{5-[4-nitro-2-(trichloroacetyl)-1H-pyrrol-1-yl]pentyl}-1H-pyrrol-2-yl)ethanone
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Formula C17H14Cl6N4O6
InChI InChI=1S/C17H14Cl6N4O6/c18-16(19,20)14(28)12-6-10(26(30)31)8-24(12)4-2-1-3-5-25-9-11(27(32)33)7-13(25)15(29)17(21,22)23/h6-9H,1-5H2
InChIKey KDZAINZHCQHXTE-UHFFFAOYSA-N
Molecular Weight 583.039 g/mol
SMILES c1(cc(C(C(Cl)(Cl)Cl)=O)[n](c1)CCCCC[n]1c(cc(c1)N(=O)=O)C(C(Cl)(Cl)Cl)=O)N(=O)=O
SPLASH splash10-03xr-9500510000-684687102291007d55a2
Source of Spectrum C-116-7004-4
Wiley ID 1408455