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2,4-Diazepano-6-(2-nitrobenzylidenehydrazino)-1,3,5-triazine

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2,4-Diazepano-6-(2-nitrobenzylidenehydrazino)-1,3,5-triazine
SpectraBase Compound ID CnPvdsrSWky
InChI InChI=1S/C22H30N8O2/c31-30(32)19-12-6-5-11-18(19)17-23-27-20-24-21(28-13-7-1-2-8-14-28)26-22(25-20)29-15-9-3-4-10-16-29/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,24,25,26,27)/b23-17+
InChIKey NXEBKUPPRXTCIW-HAVVHWLPSA-N
Mol Weight 438.54 g/mol
Molecular Formula C22H30N8O2
Exact Mass 438.249172 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsHYgNWiMZ9
Name 2,4-Diazepano-6-(2-nitrobenzylidenehydrazino)-1,3,5-triazine
Comments Computed using HOSE algorithm
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Exact Mass 438.249172236 u
Formula C22H30N8O2
InChI InChI=1S/C22H30N8O2/c31-30(32)19-12-6-5-11-18(19)17-23-27-20-24-21(28-13-7-1-2-8-14-28)26-22(25-20)29-15-9-3-4-10-16-29/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,24,25,26,27)/b23-17+
InChIKey NXEBKUPPRXTCIW-HAVVHWLPSA-N
Molecular Weight 438.536 g/mol
SMILES N(\N=C\c1c(N(=O)=O)cccc1)c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1