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N-(4-chlorobenzyl)-N-{2-[(2E)-2-(4-isopropylbenzylidene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide
SpectraBase Compound ID MHWBNOB4pj
InChI InChI=1S/C26H28ClN3O3S/c1-19(2)23-10-6-21(7-11-23)16-28-29-26(31)18-30(17-22-8-12-24(27)13-9-22)34(32,33)25-14-4-20(3)5-15-25/h4-16,19H,17-18H2,1-3H3,(H,29,31)/b28-16+
InChIKey HYHYPKUHGVTLBQ-LQKURTRISA-N
Mol Weight 498.04 g/mol
Molecular Formula C26H28ClN3O3S
Exact Mass 497.153991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JHPoDIe9fvO
Name N-(4-Chlorobenzyl)-N-{2-[(2E)-2-(4-isopropylbenzylidene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 497.153990645 u
Formula C26H28ClN3O3S
InChI InChI=1S/C26H28ClN3O3S/c1-19(2)23-10-6-21(7-11-23)16-28-29-26(31)18-30(17-22-8-12-24(27)13-9-22)34(32,33)25-14-4-20(3)5-15-25/h4-16,19H,17-18H2,1-3H3,(H,29,31)/b28-16+
InChIKey HYHYPKUHGVTLBQ-LQKURTRISA-N
Molecular Weight 498.041 g/mol
SMILES N(C(CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C=1C=CC(=CC1)C)=O)\N=C\C1=CC=C(C=C1)C(C)C