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N-(4-Chlorophenyl)-N-phenyl-N'-(2,4,6-trinitrophenyl)-hydrazine
SpectraBase Compound ID 1RxBzcNUP7M
InChI InChI=1S/C18H12ClN5O6/c19-12-6-8-14(9-7-12)21(13-4-2-1-3-5-13)20-18-16(23(27)28)10-15(22(25)26)11-17(18)24(29)30/h1-11,20H
InChIKey IMWICFMPYGKKMF-UHFFFAOYSA-N
Mol Weight 429.78 g/mol
Molecular Formula C18H12ClN5O6
Exact Mass 429.047611 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8VbHttNnwoh
Name N-(4-Chlorophenyl)-N-phenyl-N'-(2,4,6-trinitrophenyl)-hydrazine
Comments Computed using HOSE algorithm
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Exact Mass 429.047610820 u
Formula C18H12ClN5O6
InChI InChI=1S/C18H12ClN5O6/c19-12-6-8-14(9-7-12)21(13-4-2-1-3-5-13)20-18-16(23(27)28)10-15(22(25)26)11-17(18)24(29)30/h1-11,20H
InChIKey IMWICFMPYGKKMF-UHFFFAOYSA-N
Molecular Weight 429.776 g/mol
SMILES C1(NN(C2=CC=C(C=C2)Cl)C2=CC=CC=C2)=C(C=C(C=C1N(=O)=O)N(=O)=O)N(=O)=O