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2-(4-Methylphenyl)-4-phenyl-6-(3-phenylsydnon-4-yl)-3,4-dihydro-3-oxo-1,2,4,5-tetrazin-1(2H)-yl radical
SpectraBase Compound ID 2PecWBvzkBs
InChI InChI=1S/C23H17N6O3/c1-16-12-14-19(15-13-16)29-23(31)28(18-10-6-3-7-11-18)24-21(25-29)20-22(30)32-26-27(20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKey IDCOOWGWIFDWQN-UHFFFAOYSA-N
Mol Weight 426.44 g/mol
Molecular Formula C23H18N6O3
Exact Mass 426.144038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiU1Ks5o3hl
Name 2-(4-Methylphenyl)-4-phenyl-6-(3-phenylsydnon-4-yl)-3,4-dihydro-3-oxo-1,2,4,5-tetrazin-1(2H)-yl radical
Alternate Name(s) 4-(6-oxo-1-phenyl-5-(p-tolyl)-5,6-dihydro-1H-1,2,4lambda2,5-tetrazin-3-yl)-3-phenyl-1,2,3-oxadiazol-3-ium-5-olate
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Formula C23H17N6O3
InChI InChI=1S/C23H17N6O3/c1-16-12-14-19(15-13-16)29-23(31)28(18-10-6-3-7-11-18)24-21(25-29)20-22(30)32-26-27(20)17-8-4-2-5-9-17/h2-15H,1H3
InChIKey IDCOOWGWIFDWQN-UHFFFAOYSA-N
Molecular Weight 426.436 g/mol
SMILES N1N(C(N(N=C1c1c(on[n+]1-c1ccccc1)[O-])c1ccccc1)=O)c1ccc(cc1)C
SPLASH splash10-00ou-9401100000-10824ae487a4d7c95182
Source of Spectrum QA-48-781-9a
Wiley ID 1795387