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N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID IaxIjFXbkaK
InChI InChI=1S/C24H20BrClN4O2S/c1-15-13-17(25)5-12-21(15)27-22(31)14-33-24-29-28-23(16-3-10-20(32-2)11-4-16)30(24)19-8-6-18(26)7-9-19/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey GEFIBDROMDRVRB-UHFFFAOYSA-N
Mol Weight 543.87 g/mol
Molecular Formula C24H20BrClN4O2S
Exact Mass 542.017888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3l4sW6Cdyac
Name N-(4-bromo-2-methylphenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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/C24H20BrClN4O2S/c1-15-13-17(25)5-12-21(15)27-22(31)14-33-24-29-28-23(16-3-10-20(32-2)11-4-16)30(24)19-8-6-18(26)7-9-19/h3-13H,14H2,1-2H3,(H,27,31)
InChIKey GEFIBDROMDRVRB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19296
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: D13289; Labnumber: GRES-04602; SBI_ID: SBI-019299
Temperature 315 °C