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5-(5-Chloro-2-hydroxybenzoyl)-2-phenyl-6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SpectraBase Compound ID Ez5S0LAzrJ5
InChI InChI=1S/C20H11ClF3N3O3/c21-10-6-7-15(28)12(8-10)16(29)13-9-14-18(25-17(13)20(22,23)24)26-27(19(14)30)11-4-2-1-3-5-11/h1-9,28H,(H,25,26)
InChIKey JABNQXJDWSKILD-UHFFFAOYSA-N
Mol Weight 433.77 g/mol
Molecular Formula C20H11ClF3N3O3
Exact Mass 433.044103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8lLrtyF98qB
Name 5-(5-Chloro-2-hydroxybenzoyl)-2-phenyl-6-(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11ClF3N3O3
InChI InChI=1S/C20H11ClF3N3O3/c21-10-6-7-15(28)12(8-10)16(29)13-9-14-18(25-17(13)20(22,23)24)26-27(19(14)30)11-4-2-1-3-5-11/h1-9,28H,(H,25,26)
InChIKey JABNQXJDWSKILD-UHFFFAOYSA-N
Molecular Weight 433.774 g/mol
SMILES Oc1c(C(c2c(nc3NN(C(c3c2)=O)c2ccccc2)C(F)(F)F)=O)cc(cc1)Cl
SPLASH splash10-004i-9080000000-d8a0f1291c6a61a2b89d
Source of Spectrum F4-41-3878-4ca
Wiley ID 1673220