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3-Methyl-6-phenyl-1-[4'-(trifluoromethoxy)-(1,1'-biphenyl)-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SpectraBase Compound ID FL1Z3OhCtke
InChI InChI=1S/C25H18F3N5O/c1-15-21-22(29)30-23(18-5-3-2-4-6-18)31-24(21)33(32-15)19-11-7-16(8-12-19)17-9-13-20(14-10-17)34-25(26,27)28/h2-14H,1H3,(H2,29,30,31)
InChIKey KPXGCQMYMQVHSP-UHFFFAOYSA-N
Mol Weight 461.45 g/mol
Molecular Formula C25H18F3N5O
Exact Mass 461.146345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oKpkkTv00I
Name 3-Methyl-6-phenyl-1-[4'-(trifluoromethoxy)-(1,1'-biphenyl)-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18F3N5O
InChI InChI=1S/C25H18F3N5O/c1-15-21-22(29)30-23(18-5-3-2-4-6-18)31-24(21)33(32-15)19-11-7-16(8-12-19)17-9-13-20(14-10-17)34-25(26,27)28/h2-14H,1H3,(H2,29,30,31)
InChIKey KPXGCQMYMQVHSP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900296
Molecular Weight 461.448 g/mol
SMILES Nc1c2c(nc(n1)-c1ccccc1)[n](nc2C)-c1ccc(cc1)-c1ccc(cc1)OC(F)(F)F
SPLASH splash10-03di-3411900000-761a211e90904fde5164
Source of Spectrum APC-353-SM6-PP-31c
Wiley ID 1839640