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2-ethoxy-4-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)phenyl 4-chlorobenzoate
SpectraBase Compound ID 3vwu9OQFraC
InChI InChI=1S/C23H21ClN2O5S/c1-3-30-22-14-17(15-25-26-32(28,29)20-11-4-16(2)5-12-20)6-13-21(22)31-23(27)18-7-9-19(24)10-8-18/h4-15,26H,3H2,1-2H3/b25-15+
InChIKey XIIYLBRQZUURCU-MFKUBSTISA-N
Mol Weight 472.94 g/mol
Molecular Formula C23H21ClN2O5S
Exact Mass 472.085971 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 218rcv17Ifd
Name 2-Ethoxy-4-((E)-{[(4-methylphenyl)sulfonyl]hydrazono}methyl)phenyl 4-chlorobenzoate
Comments Computed using HOSE algorithm
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Exact Mass 472.085970653 u
Formula C23H21ClN2O5S
InChI InChI=1S/C23H21ClN2O5S/c1-3-30-22-14-17(15-25-26-32(28,29)20-11-4-16(2)5-12-20)6-13-21(22)31-23(27)18-7-9-19(24)10-8-18/h4-15,26H,3H2,1-2H3/b25-15+
InChIKey XIIYLBRQZUURCU-MFKUBSTISA-N
Molecular Weight 472.943 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)\N=C\C=1C=C(OCC)C(OC(C2=CC=C(C=C2)Cl)=O)=CC1