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2-Methyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
SpectraBase Compound ID C0Sl8BmVV27
InChI InChI=1S/C15H10F5N3O2/c1-23-13(24)11-9(15(18,19)20)6-10(21-12(11)22-23)7-2-4-8(5-3-7)25-14(16)17/h2-6,14H,1H3,(H,21,22)
InChIKey LVOCTLLAELWKAL-UHFFFAOYSA-N
Mol Weight 359.26 g/mol
Molecular Formula C15H10F5N3O2
Exact Mass 359.069317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xoUBlA6v2j
Name 2-Methyl-6-[4-(difluoromethoxy)phenyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-3(2H)-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10F5N3O2
InChI InChI=1S/C15H10F5N3O2/c1-23-13(24)11-9(15(18,19)20)6-10(21-12(11)22-23)7-2-4-8(5-3-7)25-14(16)17/h2-6,14H,1H3,(H,21,22)
InChIKey LVOCTLLAELWKAL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800163
Molecular Weight 359.256 g/mol
Quality 233
Reported Formula C15H10F5N3O2
SMILES N1N(C(C=2C1=NC(=CC2C(F)(F)F)C1=CC=C(C=C1)OC(F)F)=O)C
SPLASH splash10-0a4i-1009000000-0c35942b1661f03fb284
Source of Spectrum K1-2018-2642-2ah (DOI: 10.1002/ejoc.201800163)
Wiley ID 1891648