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4-chloro-N'-((E)-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene)benzenesulfonohydrazide
SpectraBase Compound ID 199LZ2uf7rE
InChI InChI=1S/C21H18ClFN2O4S/c1-28-21-12-16(4-11-20(21)29-14-15-2-7-18(23)8-3-15)13-24-25-30(26,27)19-9-5-17(22)6-10-19/h2-13,25H,14H2,1H3/b24-13+
InChIKey UYGDGKSHZSJONH-ZMOGYAJESA-N
Mol Weight 448.9 g/mol
Molecular Formula C21H18ClFN2O4S
Exact Mass 448.065984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CRsoeULVDcq
Name 4-Chloro-N'-((E)-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}methylidene)benzenesulfonohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 448.065984101 u
Formula C21H18ClFN2O4S
InChI InChI=1S/C21H18ClFN2O4S/c1-28-21-12-16(4-11-20(21)29-14-15-2-7-18(23)8-3-15)13-24-25-30(26,27)19-9-5-17(22)6-10-19/h2-13,25H,14H2,1H3/b24-13+
InChIKey UYGDGKSHZSJONH-ZMOGYAJESA-N
Molecular Weight 448.896 g/mol
SMILES N(S(C1=CC=C(C=C1)Cl)(=O)=O)\N=C\C1=CC(=C(OCC2=CC=C(C=C2)F)C=C1)OC