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3-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-fluorophenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one

View entire compound with spectra: 1 MS (GC)

3-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-fluorophenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
SpectraBase Compound ID BXSBgtSOiIK
InChI InChI=1S/C20H12F2N8O2/c21-11-1-5-13(6-2-11)28-17(23)15(9-24-28)19(31)30-20(32)16-10-25-29(18(16)26-27-30)14-7-3-12(22)4-8-14/h1-10H,23H2
InChIKey ONWLNDQBEAIZFU-UHFFFAOYSA-N
Mol Weight 434.37 g/mol
Molecular Formula C20H12F2N8O2
Exact Mass 434.105128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NLML7x3rYT
Name 3-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-ylcarbonyl]-7-(4-fluorophenyl)-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.105127982 u
Formula C20H12F2N8O2
InChI InChI=1S/C20H12F2N8O2/c21-11-1-5-13(6-2-11)28-17(23)15(9-24-28)19(31)30-20(32)16-10-25-29(18(16)26-27-30)14-7-3-12(22)4-8-14/h1-10H,23H2
InChIKey ONWLNDQBEAIZFU-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701538
Molecular Weight 434.367 g/mol
Quality 996
Reported Formula C20H12N8O2F2
SMILES NC1=C(C(N2N=NC3=C(C2=O)C=NN3C2=CC=C(C=C2)F)=O)C=NN1C1=CC=C(C=C1)F
SPLASH splash10-0f92-9320000000-8360583ff6d7a564d2ba
Source of Spectrum K1-2018-1522-5d (DOI: 10.1002/ejoc.201701538)
Wiley ID 1893952