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N-(4-bromo-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JH1jn9TSM4t
InChI InChI=1S/C22H18BrN5OS/c1-15-12-17(23)9-10-19(15)25-20(29)14-30-22-27-26-21(16-6-5-11-24-13-16)28(22)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,25,29)
InChIKey AHCWRQLQXYOHEJ-UHFFFAOYSA-N
Mol Weight 480.38 g/mol
Molecular Formula C22H18BrN5OS
Exact Mass 479.041544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E9c6C3Xla9M
Name N-(4-bromo-2-methylphenyl)-2-{[4-phenyl-5-(3-pyridinyl)-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/C22H18BrN5OS/c1-15-12-17(23)9-10-19(15)25-20(29)14-30-22-27-26-21(16-6-5-11-24-13-16)28(22)18-7-3-2-4-8-18/h2-13H,14H2,1H3,(H,25,29)
InChIKey AHCWRQLQXYOHEJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27370
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: D76295; Labnumber: MOR-8647; SBI_ID: SBI-027374
Temperature 308 °C