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2-methoxy-5-{(E)-[(phenylsulfonyl)hydrazono]methyl}phenyl 4-methoxybenzoate
SpectraBase Compound ID 9ACBjl2MipE
InChI InChI=1S/C22H20N2O6S/c1-28-18-11-9-17(10-12-18)22(25)30-21-14-16(8-13-20(21)29-2)15-23-24-31(26,27)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15+
InChIKey JLJMRIUAMGDROC-HZHRSRAPSA-N
Mol Weight 440.47 g/mol
Molecular Formula C22H20N2O6S
Exact Mass 440.104208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 712aib7Ke3Z
Name 2-Methoxy-5-{(E)-[(phenylsulfonyl)hydrazono]methyl}phenyl 4-methoxybenzoate
Comments Computed using HOSE algorithm
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Exact Mass 440.104207540 u
Formula C22H20N2O6S
InChI InChI=1S/C22H20N2O6S/c1-28-18-11-9-17(10-12-18)22(25)30-21-14-16(8-13-20(21)29-2)15-23-24-31(26,27)19-6-4-3-5-7-19/h3-15,24H,1-2H3/b23-15+
InChIKey JLJMRIUAMGDROC-HZHRSRAPSA-N
Molecular Weight 440.470 g/mol
SMILES N(S(=O)(=O)C1=CC=CC=C1)\N=C\C1=CC(OC(C2=CC=C(C=C2)OC)=O)=C(C=C1)OC