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N'-((E)-{2-[(3-bromobenzyl)oxy]phenyl}methylidene)-4-chlorobenzenesulfonohydrazide
SpectraBase Compound ID HE4e8DBdrlZ
InChI InChI=1S/C20H16BrClN2O3S/c21-17-6-3-4-15(12-17)14-27-20-7-2-1-5-16(20)13-23-24-28(25,26)19-10-8-18(22)9-11-19/h1-13,24H,14H2/b23-13+
InChIKey MMGLBNTUMKGDDE-YDZHTSKRSA-N
Mol Weight 479.78 g/mol
Molecular Formula C20H16BrClN2O3S
Exact Mass 477.975354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H1jpWPS0xah
Name N'-((E)-{2-[(3-bromobenzyl)oxy]phenyl}methylidene)-4-chlorobenzenesulfonohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 477.975354254 u
Formula C20H16BrClN2O3S
InChI InChI=1S/C20H16BrClN2O3S/c21-17-6-3-4-15(12-17)14-27-20-7-2-1-5-16(20)13-23-24-28(25,26)19-10-8-18(22)9-11-19/h1-13,24H,14H2/b23-13+
InChIKey MMGLBNTUMKGDDE-YDZHTSKRSA-N
Molecular Weight 479.776 g/mol
SMILES N(S(C1=CC=C(C=C1)Cl)(=O)=O)\N=C\C1=C(OCC=2C=C(Br)C=CC2)C=CC=C1