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N-(5-bromo-2-pyridinyl)-2-{[5-(4-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JNkjz85SZQt
InChI InChI=1S/C21H15BrFN5OS/c22-15-8-11-18(24-12-15)25-19(29)13-30-21-27-26-20(14-6-9-16(23)10-7-14)28(21)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,25,29)
InChIKey JNSYZSANYVWSDQ-UHFFFAOYSA-N
Mol Weight 484.35 g/mol
Molecular Formula C21H15BrFN5OS
Exact Mass 483.016472 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JdG9O5jA9Gi
Name N-(5-bromo-2-pyridinyl)-2-{[5-(4-fluorophenyl)-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/C21H15BrFN5OS/c22-15-8-11-18(24-12-15)25-19(29)13-30-21-27-26-20(14-6-9-16(23)10-7-14)28(21)17-4-2-1-3-5-17/h1-12H,13H2,(H,24,25,29)
InChIKey JNSYZSANYVWSDQ-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2545
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/8055413; UBI_ID: UBI-002546
Temperature 313 °C