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4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl 2-chloro-4,5-difluorobenzoate
SpectraBase Compound ID DJwWvgORyAX
InChI InChI=1S/C24H14ClF2N3O2/c1-13-2-7-21-22(8-13)30-23(29-21)15(12-28)9-14-3-5-16(6-4-14)32-24(31)17-10-19(26)20(27)11-18(17)25/h2-11H,1H3,(H,29,30)/b15-9+
InChIKey WKKYSWIYPKBILS-OQLLNIDSSA-N
Mol Weight 449.84 g/mol
Molecular Formula C24H14ClF2N3O2
Exact Mass 449.074261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KAmG6rkpFeu
Name 4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl 2-chloro-4,5-difluorobenzoate
Alternate Name(s) 2-Chloro-4,5-difluorobenzoic acid [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] ester [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 2-chloro-4,5-difluorobenzoate [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)vinyl]phenyl] 2-chloro-4,5-difluoro-benzoate [4-[(E)-2-cyano-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]phenyl] 2-chloranyl-4,5-bis(fluoranyl)benzoate
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Formula C24H14ClF2N3O2
InChI InChI=1S/C24H14ClF2N3O2/c1-13-2-7-21-22(8-13)30-23(29-21)15(12-28)9-14-3-5-16(6-4-14)32-24(31)17-10-19(26)20(27)11-18(17)25/h2-11H,1H3,(H,29,30)/b15-9+
InChIKey WKKYSWIYPKBILS-OQLLNIDSSA-N
Molecular Weight 449.845 g/mol
SMILES [nH]1c2ccc(cc2nc1\C(=C\c1ccc(OC(c2c(cc(c(c2)F)F)Cl)=O)cc1)C#N)C
SPLASH splash10-004i-2910200000-e44ac1b33071d70264d0
Wiley ID 1463364