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N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 1YQzHvPZqJQ
InChI InChI=1S/C25H23BrN4O4S/c1-32-20-13-16(14-21(33-2)23(20)34-3)24-28-29-25(30(24)19-7-5-4-6-8-19)35-15-22(31)27-18-11-9-17(26)10-12-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey ASRHCCWLLIQQRX-UHFFFAOYSA-N
Mol Weight 555.45 g/mol
Molecular Formula C25H23BrN4O4S
Exact Mass 554.062339 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85R7S1Ap2RF
Name N-(4-bromophenyl)-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H23BrN4O4S/c1-32-20-13-16(14-21(33-2)23(20)34-3)24-28-29-25(30(24)19-7-5-4-6-8-19)35-15-22(31)27-18-11-9-17(26)10-12-18/h4-14H,15H2,1-3H3,(H,27,31)
InChIKey ASRHCCWLLIQQRX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24882
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D48644; Labnumber: VGU-0022772; SBI_ID: SBI-024886
Temperature 308 °C