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3-Methyl-1,5-diphenyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
SpectraBase Compound ID DhRQ5uZkETL
InChI InChI=1S/C25H21N4.BF4/c1-18-13-15-20(16-14-18)24-26-25-23(17-28(24)21-9-5-3-6-10-21)19(2)27-29(25)22-11-7-4-8-12-22;2-1(3,4)5/h3-17H,1-2H3;/q+1;-1
InChIKey WGCPSKZTYSPIHJ-UHFFFAOYSA-N
Mol Weight 464.27 g/mol
Molecular Formula C25H21BF4N4
Exact Mass 464.17954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B03p6GvrpHk
Name 3-Methyl-1,5-diphenyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
Alternate Name(s) 3-Methyl-6-(4-methylphenyl)-1,5-diphenyl-5H-pyrazolo[3,4-d]pyrimidin-1-ium tetrafluoroborate
CAS Registry Number 115437-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21BF4N4
InChI InChI=1S/C25H21N4.BF4/c1-18-13-15-20(16-14-18)24-26-25-23(17-28(24)21-9-5-3-6-10-21)19(2)27-29(25)22-11-7-4-8-12-22;2-1(3,4)5/h3-17H,1-2H3;/q+1;-1
InChIKey WGCPSKZTYSPIHJ-UHFFFAOYSA-N
Molecular Weight 464.275 g/mol
SMILES [B-](F)(F)(F)F.C12=[N+](N=C(C2=CN(C(=N1)c1ccc(C)cc1)c1ccccc1)C)c1ccccc1
SPLASH splash10-0udi-1910000000-fe1eaf51bb90240922f5
Source of Spectrum J-53-4660-20
Wiley ID 1391477