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 Google Search
Mol Weight	662.6 g/mol
Molecular Formula	C33H32BrN3O5S
Exact Mass	661.124605 g/mol

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SpectraBase Spectrum ID	H9VuaRvzB7o
Name	4'-(BENZYLOXY)-2-{[4-m-TOLYL-5-(3,4,5-TRIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETOPHENONE, MONOHYDROBROMIDE
Source of Sample	Maybridge Chemical Company Ltd., North Cornwall, England
Comments	Some carbon atoms are unassigned
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H31N3O5S HBr
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
Molecular Weight	662.61
Solvent	Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms	ACETOPHENONE, 4'-/BENZYLOXY/- 2-//4-M-TOLYL-5-/3,4,5-TRIMETHOXYPHENYL/-4H-1,2,4-TRIAZOL-3-YL/THIO/-, MONOHYDROBROMIDE