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Nickel(II) 1,4-dibenzyl-1H-1,2,4-triazol-4-ium-5-ide cyclopenta-2,4-dien-1-ide bromide
SpectraBase Compound ID KmLBkpMemRN
InChI InChI=1S/C16H15N3.C5H5.BrH.Ni/c1-3-7-15(8-4-1)11-18-13-17-19(14-18)12-16-9-5-2-6-10-16;1-2-4-5-3-1;;/h1-10,13H,11-12H2;1-5H;1H;/q;-1;;+2/p-1
InChIKey WPAUALIRWXYTRD-UHFFFAOYSA-M
Mol Weight 454.02 g/mol
Molecular Formula C21H21BrN3Ni
Exact Mass 452.027228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WqEVEk08fi
Name Nickel(II) 1,4-dibenzyl-1H-1,2,4-triazol-4-ium-5-ide cyclopenta-2,4-dien-1-ide bromide
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Formula C21H20BrN3Ni
InChI InChI=1S/C16H15N3.C5H5.BrH.Ni/c1-3-7-15(8-4-1)11-18-13-17-19(14-18)12-16-9-5-2-6-10-16;1-2-4-5-3-1;;/h1-10,13H,11-12H2;1-5H;1H;/q;-1;;+2/p-1
InChIKey WPAUALIRWXYTRD-UHFFFAOYSA-M
Molecular Weight 454.017 g/mol
SMILES [CH]1N(C=NN1Cc1ccccc1)Cc1ccccc1.[Ni+2].[Br-].c1cc[cH-]c1
SPLASH splash10-0006-9002100000-9a1ab965fc910f2d83e1
Source of Spectrum U2-2015-5684-1f
Wiley ID 1794646