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2-(3-Nitrophenyl)-1-(phenylethynyl)-1H-benzimidazole
SpectraBase Compound ID BRqXbR2QYnS
InChI InChI=1S/C21H13N3O2/c25-24(26)18-10-6-9-17(15-18)21-22-19-11-4-5-12-20(19)23(21)14-13-16-7-2-1-3-8-16/h1-12,15H
InChIKey DNRVBUYLVTZCCS-UHFFFAOYSA-N
Mol Weight 339.35 g/mol
Molecular Formula C21H13N3O2
Exact Mass 339.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWvkiXHpPAZ
Name 2-(3-Nitrophenyl)-1-(phenylethynyl)-1H-benzimidazole
Appearance Off-white solid
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Formula C21H13N3O2
InChI InChI=1S/C21H13N3O2/c25-24(26)18-10-6-9-17(15-18)21-22-19-11-4-5-12-20(19)23(21)14-13-16-7-2-1-3-8-16/h1-12,15H
InChIKey DNRVBUYLVTZCCS-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 339.354 g/mol
Reported Formula C21H13O2N3
SMILES c1([N+](=O)[O-])cc(ccc1)-c1[n](c2c(n1)cccc2)C#Cc1ccccc1
SPLASH splash10-000f-0369000000-237ff1a7afdd84f8fb1f
Source of Spectrum CN109320503A
Wiley ID 1872619