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3-Acetyl-1-(p-nitrophenyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID AXkNkrZ9a2m
InChI InChI=1S/C20H14N8O4/c1-12(29)17-23-26(14-7-9-15(10-8-14)28(31)32)20-22-18-16(19(30)27(20)24-17)11-21-25(18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24)
InChIKey JAJJSJJOBSXCLE-UHFFFAOYSA-N
Mol Weight 430.38 g/mol
Molecular Formula C20H14N8O4
Exact Mass 430.113801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bN91sUOLVd
Name 3-Acetyl-1-(p-nitrophenyl)-9-phenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Alternate Name(s) 3-Acetyl-1-(4-nitrophenyl)-9-phenyl-1,9-dihydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N8O4
InChI InChI=1S/C20H14N8O4/c1-12(29)17-23-26(14-7-9-15(10-8-14)28(31)32)20-22-18-16(19(30)27(20)24-17)11-21-25(18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24)
InChIKey JAJJSJJOBSXCLE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 430.384 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(=O)C)c1ccc(cc1)[N+](=O)[O-])[n](nc3)-c1ccccc1)=O
SPLASH splash10-004l-7003900000-90f7f6460c77b182a9e4
Source of Spectrum QA-53-926-6d
Wiley ID 1796221