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2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide
SpectraBase Compound ID 5ill3VD7QyG
InChI InChI=1S/C23H18ClFN4OS/c1-15-11-12-16(13-20(15)25)26-21(30)14-31-23-28-27-22(18-9-5-6-10-19(18)24)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey LIKZXPATQSFMKV-UHFFFAOYSA-N
Mol Weight 452.94 g/mol
Molecular Formula C23H18ClFN4OS
Exact Mass 452.087388 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8kMYPeS7YQ1
Name 2-{[5-(2-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)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/C23H18ClFN4OS/c1-15-11-12-16(13-20(15)25)26-21(30)14-31-23-28-27-22(18-9-5-6-10-19(18)24)29(23)17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,26,30)
InChIKey LIKZXPATQSFMKV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4071
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: D98510; Labnumber: GRES-22085; SBI_ID: SBI-004073
Temperature 318 °C