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1-(6-Benzo[1,3]dioxol-5-yl-2-methyl-5-phenyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazin-3-yl)ethanone
SpectraBase Compound ID 7SdFnm5LGVr
InChI InChI=1S/C18H18N4O3/c1-12(23)17-20-22(14-6-4-3-5-7-14)18(19-21(17)2)13-8-9-15-16(10-13)25-11-24-15/h3-10,18-19H,11H2,1-2H3
InChIKey OOVUXMWDLLCRRA-UHFFFAOYSA-N
Mol Weight 338.37 g/mol
Molecular Formula C18H18N4O3
Exact Mass 338.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70xWde8PXG4
Name 1-(6-Benzo[1,3]dioxol-5-yl-2-methyl-5-phenyl-1,2,5,6-tetrahydro-[1,2,4,5]tetrazin-3-yl)ethanone
Alternate Name(s) 1-[6-(1,3-Benzodioxol-5-yl)-2-methyl-5-phenyl-1,2,5,6-tetrahydro-1,2,4,5-tetraazin-3-yl]ethanone 1-[6-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-1,6-dihydro-1,2,4,5-tetrazin-3-yl]ethanone
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Formula C18H18N4O3
InChI InChI=1S/C18H18N4O3/c1-12(23)17-20-22(14-6-4-3-5-7-14)18(19-21(17)2)13-8-9-15-16(10-13)25-11-24-15/h3-10,18-19H,11H2,1-2H3
InChIKey OOVUXMWDLLCRRA-UHFFFAOYSA-N
Molecular Weight 338.367 g/mol
SMILES N1N(C(=NN(C1c1cc2OCOc2cc1)c1ccccc1)C(=O)C)C
SPLASH splash10-0f76-8901000000-2b5f4937815dceab069f
Source of Spectrum AD-0-2532-0
Wiley ID 1433777