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4-(1H-1,2,3-benzotriazol-1-yl)-5-(2H-1,2,3-benzotriazol-2-yl)phthalonitrile
SpectraBase Compound ID DXIAptT2YF0
InChI InChI=1S/C20H10N8/c21-11-13-9-19(27-18-8-4-3-7-17(18)23-26-27)20(10-14(13)12-22)28-24-15-5-1-2-6-16(15)25-28/h1-10H
InChIKey PTZUSRSZXBIYBD-UHFFFAOYSA-N
Mol Weight 362.36 g/mol
Molecular Formula C20H10N8
Exact Mass 362.102842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRKGYknDsl
Name 4-(1H-1,2,3-benzotriazol-1-yl)-5-(2H-1,2,3-benzotriazol-2-yl)phthalonitrile
Alternate Name(s) 4-(1-benzotriazolyl)-5-(2-benzotriazolyl)benzene-1,2-dicarbonitrile 4-(benzotriazol-1-yl)-5-(benzotriazol-2-yl)benzene-1,2-dicarbonitrile
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Formula C20H10N8
InChI InChI=1S/C20H10N8/c21-11-13-9-19(27-18-8-4-3-7-17(18)23-26-27)20(10-14(13)12-22)28-24-15-5-1-2-6-16(15)25-28/h1-10H
InChIKey PTZUSRSZXBIYBD-UHFFFAOYSA-N
Molecular Weight 362.356 g/mol
SMILES c1ccc2[n](-c3c(-[n]4nc5ccccc5n4)cc(C#N)c(c3)C#N)nnc2c1
SPLASH splash10-053r-3249000000-d9713f4538ca69df1530
Source of Spectrum IY-3-103-0
Wiley ID 1718051