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2,4,6-Trinitro-N-(p-(phenylazo)phenyl)aniline
SpectraBase Compound ID JDQqfIJaEVz
InChI InChI=1S/C18H12N6O6/c25-22(26)15-10-16(23(27)28)18(17(11-15)24(29)30)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11,19H/b21-20+
InChIKey MDMDJIPETDZEMX-QZQOTICOSA-N
Mol Weight 408.33 g/mol
Molecular Formula C18H12N6O6
Exact Mass 408.081832 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40xHVELmG48
Name 2,4,6-Trinitro-N-(p-(phenylazo)phenyl)aniline
Comments Computed using HOSE algorithm
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Exact Mass 408.081832124 u
Formula C18H12N6O6
InChI InChI=1S/C18H12N6O6/c25-22(26)15-10-16(23(27)28)18(17(11-15)24(29)30)19-12-6-8-14(9-7-12)21-20-13-4-2-1-3-5-13/h1-11,19H/b21-20+
InChIKey MDMDJIPETDZEMX-QZQOTICOSA-N
Molecular Weight 408.330 g/mol
SMILES C1(=C(C(=CC(=C1)N(=O)=O)N(=O)=O)NC1=CC=C(C=C1)\N=N\C1=CC=CC=C1)N(=O)=O