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2-methoxy-4-{(E)-[(phenylsulfonyl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate
SpectraBase Compound ID 3rlUdOD3JgQ
InChI InChI=1S/C21H20N2O6S2/c1-16-8-11-19(12-9-16)31(26,27)29-20-13-10-17(14-21(20)28-2)15-22-23-30(24,25)18-6-4-3-5-7-18/h3-15,23H,1-2H3/b22-15+
InChIKey BQVBELHRRMPXBA-PXLXIMEGSA-N
Mol Weight 460.52 g/mol
Molecular Formula C21H20N2O6S2
Exact Mass 460.076279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95odBiZpluC
Name 2-Methoxy-4-{(E)-[(phenylsulfonyl)hydrazono]methyl}phenyl 4-methylbenzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 460.076278714 u
Formula C21H20N2O6S2
InChI InChI=1S/C21H20N2O6S2/c1-16-8-11-19(12-9-16)31(26,27)29-20-13-10-17(14-21(20)28-2)15-22-23-30(24,25)18-6-4-3-5-7-18/h3-15,23H,1-2H3/b22-15+
InChIKey BQVBELHRRMPXBA-PXLXIMEGSA-N
Molecular Weight 460.519 g/mol
SMILES N(S(=O)(=O)C1=CC=CC=C1)\N=C\C1=CC=C(OS(C2=CC=C(C=C2)C)(=O)=O)C(=C1)OC