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3-Methyl-1,5-diphenyl-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate

View entire compound with spectra: 1 MS (GC)

3-Methyl-1,5-diphenyl-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
SpectraBase Compound ID 4Ft5aC5jxrb
InChI InChI=1S/C25H21N4O.BF4/c1-18-23-17-28(20-9-5-3-6-10-20)24(19-13-15-22(30-2)16-14-19)26-25(23)29(27-18)21-11-7-4-8-12-21;2-1(3,4)5/h3-17H,1-2H3;/q+1;-1
InChIKey KHTRNTNROXCUSV-UHFFFAOYSA-N
Mol Weight 480.27 g/mol
Molecular Formula C25H21BF4N4O
Exact Mass 480.174454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1QQOdl72Ued
Name 3-Methyl-1,5-diphenyl-6-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
Alternate Name(s) 6-(4-Methoxyphenyl)-3-methyl-1,5-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium tetrafluoroborate
CAS Registry Number 115437-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21BF4N4O
InChI InChI=1S/C25H21N4O.BF4/c1-18-23-17-28(20-9-5-3-6-10-20)24(19-13-15-22(30-2)16-14-19)26-25(23)29(27-18)21-11-7-4-8-12-21;2-1(3,4)5/h3-17H,1-2H3;/q+1;-1
InChIKey KHTRNTNROXCUSV-UHFFFAOYSA-N
Molecular Weight 480.274 g/mol
SMILES [B-](F)(F)(F)F.c12[n](nc(c2c[n+](c(n1)-c1ccc(OC)cc1)-c1ccccc1)C)-c1ccccc1
SPLASH splash10-0fb9-9732000000-1d0c2212341c51948606
Source of Spectrum J-53-4660-20
Wiley ID 1395179