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4-(4-CHLOROPHENYL)-5-CYANO-4,7-DIHYDRO-3-(4-NITROPHENYL)-6-PHENYL-2H-PYRAZOLO-[3,4-B]-PYRIDINE
SpectraBase Compound ID H8CJsJ3Gel
InChI InChI=1S/C25H16ClN5O2/c26-18-10-6-15(7-11-18)21-20(14-27)23(16-4-2-1-3-5-16)28-25-22(21)24(29-30-25)17-8-12-19(13-9-17)31(32)33/h1-13,21H,(H2,28,29,30)
InChIKey JWQYIWHQIWWVQI-UHFFFAOYSA-N
Mol Weight 453.89 g/mol
Molecular Formula C25H16ClN5O2
Exact Mass 453.099252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRY9EItJ845
Name 4-(4-Chlorophenyl)-3-(4-nitrophenyl)-6-phenyl-2,4-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16ClN5O2
InChI InChI=1S/C25H16ClN5O2/c26-18-10-6-15(7-11-18)21-20(14-27)23(16-4-2-1-3-5-16)28-25-22(21)24(29-30-25)17-8-12-19(13-9-17)31(32)33/h1-13,21H,(H2,28,29,30)
InChIKey JWQYIWHQIWWVQI-UHFFFAOYSA-N
Molecular Weight 453.889 g/mol
SMILES N1C(=C(C(c2c([nH]nc12)-c1ccc(N(=O)=O)cc1)c1ccc(cc1)Cl)C#N)c1ccccc1
SPLASH splash10-0udl-0005900000-8868114ac3c4469a13b2
Source of Spectrum Y-38-58-4
Wiley ID 848228