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N-(2-iodophenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID AKxBUrpjBNQ
InChI InChI=1S/C21H16IN5OS/c22-17-8-4-5-9-18(17)24-19(28)14-29-21-26-25-20(15-10-12-23-13-11-15)27(21)16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)
InChIKey YNJGYYYEPYOQHH-UHFFFAOYSA-N
Mol Weight 513.36 g/mol
Molecular Formula C21H16IN5OS
Exact Mass 513.012026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dhf8KgN4El9
Name N-(2-iodophenyl)-2-{[4-phenyl-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/C21H16IN5OS/c22-17-8-4-5-9-18(17)24-19(28)14-29-21-26-25-20(15-10-12-23-13-11-15)27(21)16-6-2-1-3-7-16/h1-13H,14H2,(H,24,28)
InChIKey YNJGYYYEPYOQHH-UHFFFAOYSA-N
NMR Offset 14.4773
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15897
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/8050459; UBI_ID: UBI-015900
Temperature 313 °C