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2-Cyclohexylamino-4-(3-chlorobenzylidenehydrazino)-6-(4-nitroanilino)-1,3,5-triazine
SpectraBase Compound ID KPaMY9ubdbO
InChI InChI=1S/C22H23ClN8O2/c23-16-6-4-5-15(13-16)14-24-30-22-28-20(25-17-7-2-1-3-8-17)27-21(29-22)26-18-9-11-19(12-10-18)31(32)33/h4-6,9-14,17H,1-3,7-8H2,(H3,25,26,27,28,29,30)/b24-14+
InChIKey YYZFUIJLZYDEPJ-ZVHZXABRSA-N
Mol Weight 466.93 g/mol
Molecular Formula C22H23ClN8O2
Exact Mass 466.16325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7mrnReP7BpO
Name 2-Cyclohexylamino-4-(3-chlorobenzylidenehydrazino)-6-(4-nitroanilino)-1,3,5-triazine
Comments Computed using HOSE algorithm
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Exact Mass 466.163249711 u
Formula C22H23ClN8O2
InChI InChI=1S/C22H23ClN8O2/c23-16-6-4-5-15(13-16)14-24-30-22-28-20(25-17-7-2-1-3-8-17)27-21(29-22)26-18-9-11-19(12-10-18)31(32)33/h4-6,9-14,17H,1-3,7-8H2,(H3,25,26,27,28,29,30)/b24-14+
InChIKey YYZFUIJLZYDEPJ-ZVHZXABRSA-N
Molecular Weight 466.933 g/mol
SMILES C1CCC(CC1)NC=1N=C(N=C(N1)NC1=CC=C(C=C1)N(=O)=O)N\N=C\C1=CC=CC(=C1)Cl