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N-(3-methylphenyl)-2-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID ACKu3JRboEq
InChI InChI=1S/C22H19N5OS/c1-16-6-5-7-18(14-16)24-20(28)15-29-22-26-25-21(17-10-12-23-13-11-17)27(22)19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,24,28)
InChIKey XUEQUXQIXYHNAF-UHFFFAOYSA-N
Mol Weight 401.49 g/mol
Molecular Formula C22H19N5OS
Exact Mass 401.131031 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1jSME21A1ts
Name N-(3-methylphenyl)-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/C22H19N5OS/c1-16-6-5-7-18(14-16)24-20(28)15-29-22-26-25-21(17-10-12-23-13-11-17)27(22)19-8-3-2-4-9-19/h2-14H,15H2,1H3,(H,24,28)
InChIKey XUEQUXQIXYHNAF-UHFFFAOYSA-N
NMR Offset 14.4793
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_18085
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/8055546; Labnumber: STA-0004316; UZI_ID: UZI-018092
Temperature 313 °C