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2-({5-[(4-bromoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-bromo-2-pyridinyl)acetamide
SpectraBase Compound ID L1ukgP8aSUa
InChI InChI=1S/C22H18Br2N6OS/c23-15-6-9-17(10-7-15)25-13-20-28-29-22(30(20)18-4-2-1-3-5-18)32-14-21(31)27-19-11-8-16(24)12-26-19/h1-12,25H,13-14H2,(H,26,27,31)
InChIKey CZLWBGAOTZGVJB-UHFFFAOYSA-N
Mol Weight 574.3 g/mol
Molecular Formula C22H18Br2N6OS
Exact Mass 571.962956 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A13BUDQ4tdz
Name 2-({5-[(4-bromoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(5-bromo-2-pyridinyl)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/C22H18Br2N6OS/c23-15-6-9-17(10-7-15)25-13-20-28-29-22(30(20)18-4-2-1-3-5-18)32-14-21(31)27-19-11-8-16(24)12-26-19/h1-12,25H,13-14H2,(H,26,27,31)
InChIKey CZLWBGAOTZGVJB-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3675
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: UZI/8102261; UBI_ID: UBI-003676
Temperature 308 °C