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N-(2-bromo-4-methylphenyl)-2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID Ju0IpEHyrVB
InChI InChI=1S/C22H17Br2N5OS/c1-14-2-7-19(18(24)12-14)26-20(30)13-31-22-28-27-21(15-8-10-25-11-9-15)29(22)17-5-3-16(23)4-6-17/h2-12H,13H2,1H3,(H,26,30)
InChIKey LFJUAORRNSYQGN-UHFFFAOYSA-N
Mol Weight 559.28 g/mol
Molecular Formula C22H17Br2N5OS
Exact Mass 556.952057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LXILvWtEvEy
Name N-(2-bromo-4-methylphenyl)-2-{[4-(4-bromophenyl)-5-(4-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/C22H17Br2N5OS/c1-14-2-7-19(18(24)12-14)26-20(30)13-31-22-28-27-21(15-8-10-25-11-9-15)29(22)17-5-3-16(23)4-6-17/h2-12H,13H2,1H3,(H,26,30)
InChIKey LFJUAORRNSYQGN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17354
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: D25630; Labnumber: GRES-04724; SBI_ID: SBI-017357
Temperature 306 °C