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3-Methyl-1-phenyl-5-(4-methylphenyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
SpectraBase Compound ID 802zKnqD5h4
InChI InChI=1S/C26H23N4O.BF4/c1-18-9-13-21(14-10-18)29-17-24-19(2)28-30(22-7-5-4-6-8-22)26(24)27-25(29)20-11-15-23(31-3)16-12-20;2-1(3,4)5/h4-17H,1-3H3;/q+1;-1
InChIKey PJXSIMLXFFENRI-UHFFFAOYSA-N
Mol Weight 494.3 g/mol
Molecular Formula C26H23BF4N4O
Exact Mass 494.190104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5YfbcZxvAlR
Name 3-Methyl-1-phenyl-5-(4-methylphenyl)-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
CAS Registry Number 115437-51-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23BF4N4O
InChI InChI=1S/C26H23N4O.BF4/c1-18-9-13-21(14-10-18)29-17-24-19(2)28-30(22-7-5-4-6-8-22)26(24)27-25(29)20-11-15-23(31-3)16-12-20;2-1(3,4)5/h4-17H,1-3H3;/q+1;-1
InChIKey PJXSIMLXFFENRI-UHFFFAOYSA-N
Molecular Weight 494.301 g/mol
SMILES [B-](F)(F)(F)F.c12[n](nc(c2c[n+](c(n1)-c1ccc(OC)cc1)-c1ccc(C)cc1)C)-c1ccccc1
SPLASH splash10-05ic-7970000000-f9d674582f2ea3542444
Source of Spectrum J-53-4660-20
Synonyms 6-(4-Methoxyphenyl)-3-methyl-5-(4-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium tetrafluoroborate
Wiley ID 1397868