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2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JF38wDE5Pew
InChI InChI=1S/C16H13BrN4OS/c17-13-9-5-4-8-12(13)15-19-20-16(23-10-14(18)22)21(15)11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,22)
InChIKey ZMXHCJFAWQCXMK-UHFFFAOYSA-N
Mol Weight 389.27 g/mol
Molecular Formula C16H13BrN4OS
Exact Mass 387.999345 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CBinpvNoswl
Name 2-{[5-(2-bromophenyl)-4-phenyl-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/C16H13BrN4OS/c17-13-9-5-4-8-12(13)15-19-20-16(23-10-14(18)22)21(15)11-6-2-1-3-7-11/h1-9H,10H2,(H2,18,22)
InChIKey ZMXHCJFAWQCXMK-UHFFFAOYSA-N
NMR Offset 14.4793
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_16050
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/8066065; UBI_ID: UBI-016053
Temperature 313 °C