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4-[(Cinnamyl)methyl]-1-[2',6'-dichloro-4'-(trifluoromethyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
SpectraBase Compound ID JWNTjL4aktx
InChI InChI=1S/C29H17Cl2F3N4/c30-22-15-21(29(32,33)34)16-23(31)27(22)38-28-26(25(17-35)37-38)20(13-7-10-18-8-3-1-4-9-18)14-24(36-28)19-11-5-2-6-12-19/h1-12,14-16H,13H2/b10-7+
InChIKey OCMXFBOXZQTWEI-JXMROGBWSA-N
Mol Weight 549.38 g/mol
Molecular Formula C29H17Cl2F3N4
Exact Mass 548.078236 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTajUabezCE
Name 4-[(Cinnamyl)methyl]-1-[2',6'-dichloro-4'-(trifluoromethyl)phenyl]-6-phenyl-1H-pyrazolo[3,4-b]pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H17Cl2F3N4
InChI InChI=1S/C29H17Cl2F3N4/c30-22-15-21(29(32,33)34)16-23(31)27(22)38-28-26(25(17-35)37-38)20(13-7-10-18-8-3-1-4-9-18)14-24(36-28)19-11-5-2-6-12-19/h1-12,14-16H,13H2/b10-7+
InChIKey OCMXFBOXZQTWEI-JXMROGBWSA-N
Molecular Weight 549.384 g/mol
SMILES c12[n](nc(c2c(C\C=C\c2ccccc2)cc(n1)-c1ccccc1)C#N)-c1c(cc(C(F)(F)F)cc1Cl)Cl
SPLASH splash10-0006-9000400000-7f7d5a70364b337293dd
Source of Spectrum C3-32-473-4
Wiley ID 1696275