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6-Benzyl-3-methyl-1-[4-(4-trifluoromethoxyphenyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SpectraBase Compound ID AFDUX6EvSWL
InChI InChI=1S/C26H20F3N5O/c1-16-23-24(30)31-22(15-17-5-3-2-4-6-17)32-25(23)34(33-16)20-11-7-18(8-12-20)19-9-13-21(14-10-19)35-26(27,28)29/h2-14H,15H2,1H3,(H2,30,31,32)
InChIKey BQDWYJJLGNUABA-UHFFFAOYSA-N
Mol Weight 475.48 g/mol
Molecular Formula C26H20F3N5O
Exact Mass 475.161995 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zFYi9FJkHm
Name 6-Benzyl-3-methyl-1-[4-(4-trifluoromethoxyphenyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20F3N5O
InChI InChI=1S/C26H20F3N5O/c1-16-23-24(30)31-22(15-17-5-3-2-4-6-17)32-25(23)34(33-16)20-11-7-18(8-12-20)19-9-13-21(14-10-19)35-26(27,28)29/h2-14H,15H2,1H3,(H2,30,31,32)
InChIKey BQDWYJJLGNUABA-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900296
Molecular Weight 475.475 g/mol
SMILES Nc1c2c(nc(n1)Cc1ccccc1)[n](nc2C)-c1ccc(cc1)-c1ccc(cc1)OC(F)(F)F
SPLASH splash10-004i-6300900000-69ed6197d6864ba1cd8c
Source of Spectrum APC-353-SM7-PP-31d
Wiley ID 1839641