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3-Benzoyl-1,9-diphenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID LijfzJ0ZbFS
InChI InChI=1S/C25H17N7O2/c33-21(17-10-4-1-5-11-17)22-28-31(19-14-8-3-9-15-19)25-27-23-20(24(34)32(25)29-22)16-26-30(23)18-12-6-2-7-13-18/h1-16H,(H,28,29)
InChIKey MZNFBSAXALTNJZ-UHFFFAOYSA-N
Mol Weight 447.46 g/mol
Molecular Formula C25H17N7O2
Exact Mass 447.144373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPPif6fbWHH
Name 3-Benzoyl-1,9-diphenyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Alternate Name(s) 3-Benzoyl-1,9-diphenyl-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 C25H17N7O2
InChI InChI=1S/C25H17N7O2/c33-21(17-10-4-1-5-11-17)22-28-31(19-14-8-3-9-15-19)25-27-23-20(24(34)32(25)29-22)16-26-30(23)18-12-6-2-7-13-18/h1-16H,(H,28,29)
InChIKey MZNFBSAXALTNJZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 447.458 g/mol
SMILES N1N2C(c3c(N=C2N(N=C1C(c1ccccc1)=O)c1ccccc1)[n](nc3)-c1ccccc1)=O
SPLASH splash10-0a6s-7900600000-867dedb1e2c247fa09a7
Source of Spectrum QA-53-927-6o
Wiley ID 1796232