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3-Methyl-1-[4'-(trifluoromethoxy)-(1,1'-biphenyl)-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SpectraBase Compound ID EScunpyVfCZ
InChI InChI=1S/C19H14F3N5O/c1-11-16-17(23)24-10-25-18(16)27(26-11)14-6-2-12(3-7-14)13-4-8-15(9-5-13)28-19(20,21)22/h2-10H,1H3,(H2,23,24,25)
InChIKey SIUBEZNPEZCZNH-UHFFFAOYSA-N
Mol Weight 385.35 g/mol
Molecular Formula C19H14F3N5O
Exact Mass 385.115045 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2me3KqgRYe
Name 3-Methyl-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 C19H14F3N5O
InChI InChI=1S/C19H14F3N5O/c1-11-16-17(23)24-10-25-18(16)27(26-11)14-6-2-12(3-7-14)13-4-8-15(9-5-13)28-19(20,21)22/h2-10H,1H3,(H2,23,24,25)
InChIKey SIUBEZNPEZCZNH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/ardp.201900296
Molecular Weight 385.350 g/mol
SMILES Nc1c2c(ncn1)[n](nc2C)-c1ccc(cc1)-c1ccc(cc1)OC(F)(F)F
SPLASH splash10-0006-9103000000-51df46a0c9f56ef6ab60
Source of Spectrum APC-353-SM6-PP-31b
Wiley ID 1839639