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5-(2-Chloroethyl)-3-(4-chlorophenyl)-6-methyl-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one

View entire compound with spectra: 1 MS (GC)

5-(2-Chloroethyl)-3-(4-chlorophenyl)-6-methyl-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one
SpectraBase Compound ID 9RjkDfxF7eL
InChI InChI=1S/C21H17Cl2N3O/c1-13-17(11-12-22)20(27)18-19(14-7-9-15(23)10-8-14)25-26(21(18)24-13)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,24,27)
InChIKey YWHPLSRGSWOGFN-UHFFFAOYSA-N
Mol Weight 398.29 g/mol
Molecular Formula C21H17Cl2N3O
Exact Mass 397.074868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OCuuERuCm
Name 5-(2-Chloroethyl)-3-(4-chlorophenyl)-6-methyl-1-phenyl-1,7-dihydro-4H-pyrazolo[3,4-b]pyridin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17Cl2N3O
InChI InChI=1S/C21H17Cl2N3O/c1-13-17(11-12-22)20(27)18-19(14-7-9-15(23)10-8-14)25-26(21(18)24-13)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,24,27)
InChIKey YWHPLSRGSWOGFN-UHFFFAOYSA-N
Molecular Weight 398.293 g/mol
SMILES N1C(=C(C(c2c1[n](nc2-c1ccc(cc1)Cl)-c1ccccc1)=O)CCCl)C
SPLASH splash10-08mj-0209100000-ac51c4cce9ce470521ef
Source of Spectrum Y-45-1714-5a
Wiley ID 1666511