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3-(5-Amino-1-phenyl-1H-pyrazol-4-ylcarbonyl)-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
SpectraBase Compound ID CM3TqR9EcfI
InChI InChI=1S/C20H14N8O2/c21-17-15(11-22-26(17)13-7-3-1-4-8-13)19(29)28-20(30)16-12-23-27(18(16)24-25-28)14-9-5-2-6-10-14/h1-12H,21H2
InChIKey YVJYZACZIPGEIJ-UHFFFAOYSA-N
Mol Weight 398.39 g/mol
Molecular Formula C20H14N8O2
Exact Mass 398.123972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1riTpyVREpk
Name 3-(5-Amino-1-phenyl-1H-pyrazol-4-ylcarbonyl)-7-phenyl-3,7-dihydro-4H-pyrazolo[3,4-d][1,2,3]triazin-4-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.123971721 u
Formula C20H14N8O2
InChI InChI=1S/C20H14N8O2/c21-17-15(11-22-26(17)13-7-3-1-4-8-13)19(29)28-20(30)16-12-23-27(18(16)24-25-28)14-9-5-2-6-10-14/h1-12H,21H2
InChIKey YVJYZACZIPGEIJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701538
Molecular Weight 398.386 g/mol
Quality 672
Reported Formula C20H14N8O2
SMILES NC1=C(C(N2N=NC3=C(C2=O)C=NN3C2=CC=CC=C2)=O)C=NN1C1=CC=CC=C1
SPLASH splash10-002r-8912000000-941c5b24c76122f6a452
Source of Spectrum K1-2018-1522-5b (DOI: 10.1002/ejoc.201701538)
Wiley ID 1893950