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4'-(benzyloxy)-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide

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4'-(benzyloxy)-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide
SpectraBase Compound ID 5zSURpkaUp3
InChI InChI=1S/C33H31N3O5S.BrH/c1-22-9-8-12-26(17-22)36-32(25-18-29(38-2)31(40-4)30(19-25)39-3)34-35-33(36)42-21-28(37)24-13-15-27(16-14-24)41-20-23-10-6-5-7-11-23;/h5-19H,20-21H2,1-4H3;1H
InChIKey IPKUEKCIWASMDU-UHFFFAOYSA-N
Mol Weight 662.6 g/mol
Molecular Formula C33H32BrN3O5S
Exact Mass 661.124605 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 35mEzIIrrBv
Name 4'-(benzyloxy)-2-{[4-m-tolyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide
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Formula C33H32BrN3O5S
InChI InChI=1S/C33H31N3O5S.BrH/c1-22-9-8-12-26(17-22)36-32(25-18-29(38-2)31(40-4)30(19-25)39-3)34-35-33(36)42-21-28(37)24-13-15-27(16-14-24)41-20-23-10-6-5-7-11-23;/h5-19H,20-21H2,1-4H3;1H
InChIKey IPKUEKCIWASMDU-UHFFFAOYSA-N
Instrument Name Varian A-60
Sadtler NMR Number 22077M
Solvent CDCl3