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2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID EmWnUQCrUda
InChI InChI=1S/C18H15F3N4O2S/c1-27-14-8-3-2-7-13(14)16-23-17(25-24-16)28-10-15(26)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKey XTAWGWGRWFZQSA-UHFFFAOYSA-N
Mol Weight 408.4 g/mol
Molecular Formula C18H15F3N4O2S
Exact Mass 408.086781 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9YKwnJ4Oxo6
Name 2-{[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]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/C18H15F3N4O2S/c1-27-14-8-3-2-7-13(14)16-23-17(25-24-16)28-10-15(26)22-12-6-4-5-11(9-12)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKey XTAWGWGRWFZQSA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6385
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: NMR/11252357; Labnumber: LP-3701424; IOH_ID: IOH-006386