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8-Amino-7-(4-chlorophenyl)-1-phenyl-7,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4(6H)-one
SpectraBase Compound ID 8lXNfZu9rXd
InChI InChI=1S/C18H14ClN7O/c19-12-8-6-11(7-9-12)15-23-26-17(27)14-10-21-25(13-4-2-1-3-5-13)16(14)22-18(26)24(15)20/h1-10,15,23H,20H2
InChIKey GQSHBALDPVHZJQ-UHFFFAOYSA-N
Mol Weight 379.81 g/mol
Molecular Formula C18H14ClN7O
Exact Mass 379.094836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9139DT7Q7ls
Name 8-Amino-7-(4-chlorophenyl)-1-phenyl-7,8-dihydro-1H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4(6H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14ClN7O
InChI InChI=1S/C18H14ClN7O/c19-12-8-6-11(7-9-12)15-23-26-17(27)14-10-21-25(13-4-2-1-3-5-13)16(14)22-18(26)24(15)20/h1-10,15,23H,20H2
InChIKey GQSHBALDPVHZJQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3744
Molecular Weight 379.811 g/mol
SMILES N1N2C(N(C1c1ccc(cc1)Cl)N)=Nc1c(C2=O)cn[n]1-c1ccccc1
SPLASH splash10-004i-9000000000-2b3b5490150f8c42c1ef
Source of Spectrum Y-57-547-14
Wiley ID 1859978