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2-(3-Methyl-5-nitro-1-phenyl-4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)phenol
SpectraBase Compound ID AZTL67Posa5
InChI InChI=1S/C20H13F3N4O3/c1-11-15-16(20(21,22)23)18(27(29)30)17(13-9-5-6-10-14(13)28)24-19(15)26(25-11)12-7-3-2-4-8-12/h2-10,28H,1H3
InChIKey VYDVGLYRQBEKRL-UHFFFAOYSA-N
Mol Weight 414.34 g/mol
Molecular Formula C20H13F3N4O3
Exact Mass 414.093975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5w0vpZebZOq
Name 2-(3-Methyl-5-nitro-1-phenyl-4-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)phenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H13F3N4O3
InChI InChI=1S/C20H13F3N4O3/c1-11-15-16(20(21,22)23)18(27(29)30)17(13-9-5-6-10-14(13)28)24-19(15)26(25-11)12-7-3-2-4-8-12/h2-10,28H,1H3
InChIKey VYDVGLYRQBEKRL-UHFFFAOYSA-N
Molecular Weight 414.344 g/mol
SMILES Oc1c(-c2nc3c(c(c2N(=O)=O)C(F)(F)F)c(n[n]3-c2ccccc2)C)cccc1
SPLASH splash10-00di-0009000000-4e0c4a55ed5373349548
Source of Spectrum F-68-2540-3t
Wiley ID 1708747