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N,N',N"-Tris(2-nitrophenyl)-[1,3,5]triazine-2,4,6-triamine

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N,N',N"-Tris(2-nitrophenyl)-[1,3,5]triazine-2,4,6-triamine
SpectraBase Compound ID Hb1t3xsP30E
InChI InChI=1S/C21H15N9O6/c31-28(32)16-10-4-1-7-13(16)22-19-25-20(23-14-8-2-5-11-17(14)29(33)34)27-21(26-19)24-15-9-3-6-12-18(15)30(35)36/h1-12H,(H3,22,23,24,25,26,27)
InChIKey SSFCAUJEDFVVOT-UHFFFAOYSA-N
Mol Weight 489.41 g/mol
Molecular Formula C21H15N9O6
Exact Mass 489.114529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EeHC6DaemA
Name N,N',N''-Tris(2-nitrophenyl)-[1,3,5]triazine-2,4,6-triamine
Comments Computed using HOSE algorithm
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Exact Mass 489.114529233 u
Formula C21H15N9O6
InChI InChI=1S/C21H15N9O6/c31-28(32)16-10-4-1-7-13(16)22-19-25-20(23-14-8-2-5-11-17(14)29(33)34)27-21(26-19)24-15-9-3-6-12-18(15)30(35)36/h1-12H,(H3,22,23,24,25,26,27)
InChIKey SSFCAUJEDFVVOT-UHFFFAOYSA-N
Molecular Weight 489.408 g/mol
SMILES C=1(N=C(NC=2C(N(=O)=O)=CC=CC2)N=C(N1)NC=1C(N(=O)=O)=CC=CC1)NC=1C(N(=O)=O)=CC=CC1