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6-Ethyl-3-methyl-1-phenyl-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
SpectraBase Compound ID 2bu0Y5nPz2Y
InChI InChI=1S/C21H21N4.BF4/c1-4-20-22-21-19(14-24(20)17-12-10-15(2)11-13-17)16(3)23-25(21)18-8-6-5-7-9-18;2-1(3,4)5/h5-14H,4H2,1-3H3;/q+1;-1
InChIKey SBVPMIDIBOTSOA-UHFFFAOYSA-N
Mol Weight 416.23 g/mol
Molecular Formula C21H21BF4N4
Exact Mass 416.17954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B62He2nO7bu
Name 6-Ethyl-3-methyl-1-phenyl-5-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
CAS Registry Number 115437-49-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21BF4N4
InChI InChI=1S/C21H21N4.BF4/c1-4-20-22-21-19(14-24(20)17-12-10-15(2)11-13-17)16(3)23-25(21)18-8-6-5-7-9-18;2-1(3,4)5/h5-14H,4H2,1-3H3;/q+1;-1
InChIKey SBVPMIDIBOTSOA-UHFFFAOYSA-N
Molecular Weight 416.231 g/mol
SMILES [B-](F)(F)(F)F.c12[n](nc(c2c[n+](c(n1)CC)-c1ccc(C)cc1)C)-c1ccccc1
SPLASH splash10-005a-6913000000-5e1b5742310c7bf79850
Source of Spectrum J-53-4660-20
Synonyms 6-Ethyl-3-methyl-5-(4-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium tetrafluoroborate
Wiley ID 1376266