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2-(1H-benzoimidazol-2-yl)-3-[1-(3,4-dimethyl-phenyl)-3,5-dimethyl-4H-pyrazol-4-yl]-acrylonitrile, hydrochloride

View entire compound with spectra: 1 MS (GC)

2-(1H-benzoimidazol-2-yl)-3-[1-(3,4-dimethyl-phenyl)-3,5-dimethyl-4H-pyrazol-4-yl]-acrylonitrile, hydrochloride
SpectraBase Compound ID 7lg4ILzAIMu
InChI InChI=1S/C23H22N5.ClH/c1-14-9-10-19(11-15(14)2)28-17(4)20(16(3)27-28)12-18(13-24)23-25-21-7-5-6-8-22(21)26-23;/h5-12,20H,1-4H3,(H,25,26);1H/b18-12+;
InChIKey ZGQJRROQRSRJMI-XMMWENQYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C23H23ClN5
Exact Mass 404.164198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mzVr9ewNJG
Name 2-(1H-benzoimidazol-2-yl)-3-[1-(3,4-dimethyl-phenyl)-3,5-dimethyl-4H-pyrazol-4-yl]-acrylonitrile, hydrochloride
Alternate Name(s) (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-4H-1,2-pyrazol-4-yl]prop-2-enenitrile hydrochloride
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Formula C23H23ClN5
InChI InChI=1S/C23H22N5.ClH/c1-14-9-10-19(11-15(14)2)28-17(4)20(16(3)27-28)12-18(13-24)23-25-21-7-5-6-8-22(21)26-23;/h5-12,20H,1-4H3,(H,25,26);1H/b18-12+;
InChIKey ZGQJRROQRSRJMI-XMMWENQYSA-N
Molecular Weight 404.925 g/mol
SMILES Cl.[nH]1c2ccccc2nc1\C(=C\C1C(=[N](N=C1C)c1cc(C)c(cc1)C)C)C#N
SPLASH splash10-0udr-8519000000-09b90c2d7f61d039b56b
Wiley ID 1436973