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3,8-Dimethyl-1-(4-nitrophenyl)-1H-pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
SpectraBase Compound ID D79jmctm8iI
InChI InChI=1S/C13H12N6O3/c1-8-7-12(20)18-13(14-8)17(15-9(2)16-18)10-3-5-11(6-4-10)19(21)22/h3-7H,1-2H3,(H,15,16)
InChIKey CRJJAIUZDKQFFG-UHFFFAOYSA-N
Mol Weight 300.28 g/mol
Molecular Formula C13H12N6O3
Exact Mass 300.097088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgibszZUSg4
Name 3,8-Dimethyl-1-(4-nitrophenyl)-1H-pyrimido[1,2-b][1,2,4,5]tetrazin-6(4H)-one
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Formula C13H12N6O3
InChI InChI=1S/C13H12N6O3/c1-8-7-12(20)18-13(14-8)17(15-9(2)16-18)10-3-5-11(6-4-10)19(21)22/h3-7H,1-2H3,(H,15,16)
InChIKey CRJJAIUZDKQFFG-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1098-1071(2000)11_2_87
Molecular Weight 300.278 g/mol
SMILES N1C(=NN(C=2N1C(C=C(N2)C)=O)c1ccc(cc1)[N+](=O)[O-])C
SPLASH splash10-0uk9-2819000000-1ef5774cf9b5304e9cc6
Source of Spectrum HAC-11-89-9g
Wiley ID 1775768