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1,9-Diphenyl-3-ethoxycarbonyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
SpectraBase Compound ID DLPltBwSGSh
InChI InChI=1S/C21H17N7O3/c1-2-31-20(30)17-24-27(15-11-7-4-8-12-15)21-23-18-16(19(29)28(21)25-17)13-22-26(18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,24,25)
InChIKey MKGCVZNCBMUQBA-UHFFFAOYSA-N
Mol Weight 415.41 g/mol
Molecular Formula C21H17N7O3
Exact Mass 415.139287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JOcLjELGW0T
Name 1,9-Diphenyl-3-ethoxycarbonyl-1,4-dihydropyrazolo[3,4-d]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Alternate Name(s) Ethyl 6-oxo-1,9-diphenyl-1,4,6,9-tetrahydropyrazolo[3',4':4,5]pyrimido[1,2-b][1,2,4,5]tetrazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N7O3
InChI InChI=1S/C21H17N7O3/c1-2-31-20(30)17-24-27(15-11-7-4-8-12-15)21-23-18-16(19(29)28(21)25-17)13-22-26(18)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,24,25)
InChIKey MKGCVZNCBMUQBA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200600123
Molecular Weight 415.413 g/mol
SMILES N1C(=NN(C2=Nc3c(C(N12)=O)cn[n]3-c1ccccc1)c1ccccc1)C(=O)OCC
SPLASH splash10-014i-3020900000-51e01588c8633c7eb49b
Source of Spectrum QA-53-927-6h
Wiley ID 1796225