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4'-bromo-2-{[4-(o-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide

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4'-bromo-2-{[4-(o-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide
SpectraBase Compound ID BBrW1NjDInm
InChI InChI=1S/C25H21BrClN3O4S.BrH/c1-32-21-12-16(13-22(33-2)23(21)34-3)24-28-29-25(30(24)19-7-5-4-6-18(19)27)35-14-20(31)15-8-10-17(26)11-9-15;/h4-13H,14H2,1-3H3;1H
InChIKey QNKSOZNXKQMMPJ-UHFFFAOYSA-N
Mol Weight 655.79 g/mol
Molecular Formula C25H22Br2ClN3O4S
Exact Mass 652.938631 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tOoAYrrQEB
Name 4'-bromo-2-{[4-(o-chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}acetophenone, monohydrobromide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22Br2ClN3O4S
InChI InChI=1S/C25H21BrClN3O4S.BrH/c1-32-21-12-16(13-22(33-2)23(21)34-3)24-28-29-25(30(24)19-7-5-4-6-18(19)27)35-14-20(31)15-8-10-17(26)11-9-15;/h4-13H,14H2,1-3H3;1H
InChIKey QNKSOZNXKQMMPJ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 51979M
Solvent CDCl3