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N'-((E)-{3-[(4-chlorobenzyl)oxy]-4-methoxyphenyl}methylidene)-4-methylbenzenesulfonohydrazide
SpectraBase Compound ID Hryu4Vc4XCj
InChI InChI=1S/C22H21ClN2O4S/c1-16-3-10-20(11-4-16)30(26,27)25-24-14-18-7-12-21(28-2)22(13-18)29-15-17-5-8-19(23)9-6-17/h3-14,25H,15H2,1-2H3/b24-14+
InChIKey HFALIEYIDMRDML-ZVHZXABRSA-N
Mol Weight 444.93 g/mol
Molecular Formula C22H21ClN2O4S
Exact Mass 444.091056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9HGHRx3ZMj7
Name N'-((E)-{3-[(4-chlorobenzyl)oxy]-4-methoxyphenyl}methylidene)-4-methylbenzenesulfonohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 444.091056034 u
Formula C22H21ClN2O4S
InChI InChI=1S/C22H21ClN2O4S/c1-16-3-10-20(11-4-16)30(26,27)25-24-14-18-7-12-21(28-2)22(13-18)29-15-17-5-8-19(23)9-6-17/h3-14,25H,15H2,1-2H3/b24-14+
InChIKey HFALIEYIDMRDML-ZVHZXABRSA-N
Molecular Weight 444.933 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)\N=C\C1=CC(OCC=2C=CC(Cl)=CC2)=C(C=C1)OC