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4-{(E)-[(4-chlorobenzoyl)hydrazono]methyl}-2-methoxyphenyl benzenesulfonate
SpectraBase Compound ID 5zD2zf94edH
InChI InChI=1S/C21H17ClN2O5S/c1-28-20-13-15(14-23-24-21(25)16-8-10-17(22)11-9-16)7-12-19(20)29-30(26,27)18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)/b23-14+
InChIKey XAXBPJMDNOMWPK-OEAKJJBVSA-N
Mol Weight 444.89 g/mol
Molecular Formula C21H17ClN2O5S
Exact Mass 444.054671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7LhGAte0bl
Name 4-{(E)-[(4-chlorobenzoyl)hydrazono]methyl}-2-methoxyphenyl benzenesulfonate
Comments Computed using HOSE algorithm
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Exact Mass 444.054670524 u
Formula C21H17ClN2O5S
InChI InChI=1S/C21H17ClN2O5S/c1-28-20-13-15(14-23-24-21(25)16-8-10-17(22)11-9-16)7-12-19(20)29-30(26,27)18-5-3-2-4-6-18/h2-14H,1H3,(H,24,25)/b23-14+
InChIKey XAXBPJMDNOMWPK-OEAKJJBVSA-N
Molecular Weight 444.889 g/mol
SMILES N(\N=C\C1=CC(=C(OS(=O)(=O)C2=CC=CC=C2)C=C1)OC)C(C=1C=CC(Cl)=CC1)=O