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3-Methyl-1,5-diphenyl-6-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
SpectraBase Compound ID DgJYvM1q3Mv
InChI InChI=1S/C24H18ClN4.BF4/c1-17-22-16-28(20-8-4-2-5-9-20)23(18-12-14-19(25)15-13-18)26-24(22)29(27-17)21-10-6-3-7-11-21;2-1(3,4)5/h2-16H,1H3;/q+1;-1
InChIKey HLZYQBIGSUEYEN-UHFFFAOYSA-N
Mol Weight 484.69 g/mol
Molecular Formula C24H18BClF4N4
Exact Mass 484.124917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6r6w4jRXssT
Name 3-Methyl-1,5-diphenyl-6-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
Alternate Name(s) 6-(4-Chlorophenyl)-3-methyl-1,5-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium tetrafluoroborate
CAS Registry Number 115437-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H18BClF4N4
InChI InChI=1S/C24H18ClN4.BF4/c1-17-22-16-28(20-8-4-2-5-9-20)23(18-12-14-19(25)15-13-18)26-24(22)29(27-17)21-10-6-3-7-11-21;2-1(3,4)5/h2-16H,1H3;/q+1;-1
InChIKey HLZYQBIGSUEYEN-UHFFFAOYSA-N
Molecular Weight 484.693 g/mol
SMILES [B-](F)(F)(F)F.c12[n](nc(c2c[n+](c(n1)-c1ccc(Cl)cc1)-c1ccccc1)C)-c1ccccc1
SPLASH splash10-03dr-1596000000-27234e5d3dc89c1c99d0
Source of Spectrum J-53-4660-20
Wiley ID 1395953