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N'-((E)-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-methylbenzenesulfonohydrazide
SpectraBase Compound ID 16oMMTR8Kft
InChI InChI=1S/C23H23FN2O4S/c1-3-29-23-14-19(8-13-22(23)30-16-18-6-9-20(24)10-7-18)15-25-26-31(27,28)21-11-4-17(2)5-12-21/h4-15,26H,3,16H2,1-2H3/b25-15+
InChIKey PCBNAYSOYGIRKJ-MFKUBSTISA-N
Mol Weight 442.51 g/mol
Molecular Formula C23H23FN2O4S
Exact Mass 442.136257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqS7mchL0s3
Name N'-((E)-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}methylidene)-4-methylbenzenesulfonohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 442.136256562 u
Formula C23H23FN2O4S
InChI InChI=1S/C23H23FN2O4S/c1-3-29-23-14-19(8-13-22(23)30-16-18-6-9-20(24)10-7-18)15-25-26-31(27,28)21-11-4-17(2)5-12-21/h4-15,26H,3,16H2,1-2H3/b25-15+
InChIKey PCBNAYSOYGIRKJ-MFKUBSTISA-N
Molecular Weight 442.505 g/mol
SMILES N(S(C1=CC=C(C=C1)C)(=O)=O)\N=C\C1=CC(=C(OCC=2C=CC(F)=CC2)C=C1)OCC