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1-(4-Methoxybenzyl)-4-(chlorodifluoromethyl)-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SpectraBase Compound ID 1zLYbSNNYe7
InChI InChI=1S/C23H15Cl2F2N3O/c1-31-18-8-2-14(3-9-18)12-30-13-16(11-28)21-19(23(25,26)27)10-20(29-22(21)30)15-4-6-17(24)7-5-15/h2-10,13H,12H2,1H3
InChIKey ALJBXEXSXWCPIT-UHFFFAOYSA-N
Mol Weight 458.3 g/mol
Molecular Formula C23H15Cl2F2N3O
Exact Mass 457.056024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZxaPugN316
Name 1-(4-Methoxybenzyl)-4-(chlorodifluoromethyl)-6-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C23H15Cl2F2N3O
InChI InChI=1S/C23H15Cl2F2N3O/c1-31-18-8-2-14(3-9-18)12-30-13-16(11-28)21-19(23(25,26)27)10-20(29-22(21)30)15-4-6-17(24)7-5-15/h2-10,13H,12H2,1H3
InChIKey ALJBXEXSXWCPIT-UHFFFAOYSA-N
Molecular Weight 458.296 g/mol
SMILES c12[n](cc(c2c(C(F)(Cl)F)cc(n1)-c1ccc(cc1)Cl)C#N)Cc1ccc(cc1)OC
SPLASH splash10-00di-0900100000-38581a6510e4df883148
Source of Spectrum F-67-5670-7i
Wiley ID 1687226