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2,6-Bis(4,5-dihydro-7-methyl-4-oxo-2-phenyl-2H-pyrazolo[4,3-d]pyridazin-3-yl)pyridine
SpectraBase Compound ID GPJ2PvYTLIW
InChI InChI=1S/C29H21N9O2/c1-16-24-22(28(39)33-31-16)26(37(35-24)18-10-5-3-6-11-18)20-14-9-15-21(30-20)27-23-25(17(2)32-34-29(23)40)36-38(27)19-12-7-4-8-13-19/h3-15H,1-2H3,(H,33,39)(H,34,40)
InChIKey PILIENFDRVCWAS-UHFFFAOYSA-N
Mol Weight 527.55 g/mol
Molecular Formula C29H21N9O2
Exact Mass 527.181821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPQ5YKofe2e
Name 2,6-Bis(4,5-dihydro-7-methyl-4-oxo-2-phenyl-2H-pyrazolo[4,3-d]pyridazin-3-yl)pyridine
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H21N9O2
InChI InChI=1S/C29H21N9O2/c1-16-24-22(28(39)33-31-16)26(37(35-24)18-10-5-3-6-11-18)20-14-9-15-21(30-20)27-23-25(17(2)32-34-29(23)40)36-38(27)19-12-7-4-8-13-19/h3-15H,1-2H3,(H,33,39)(H,34,40)
InChIKey PILIENFDRVCWAS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.775
Molecular Weight 527.548 g/mol
SMILES N1N=C(c2n[n](c(-c3nc(-c4c5c(C(=NNC5=O)C)n[n]4-c4ccccc4)ccc3)c2C1=O)-c1ccccc1)C
SPLASH splash10-004i-9010170000-328a722672a969353a74
Source of Spectrum ARK-2014-405-10
Wiley ID 1843318