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2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethanone
SpectraBase Compound ID 8BF0XBbD7el
InChI InChI=1S/C24H21FN4OS/c1-17-7-9-18(10-8-17)22(30)16-31-24-28-27-23(29(24)21-5-3-2-4-6-21)15-26-20-13-11-19(25)12-14-20/h2-14,26H,15-16H2,1H3
InChIKey TZDGKCJCQTUKRL-UHFFFAOYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C24H21FN4OS
Exact Mass 432.142011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 45lMgc2WMfo
Name 2-({5-[(4-fluoroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylphenyl)ethanone
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/C24H21FN4OS/c1-17-7-9-18(10-8-17)22(30)16-31-24-28-27-23(29(24)21-5-3-2-4-6-21)15-26-20-13-11-19(25)12-14-20/h2-14,26H,15-16H2,1H3
InChIKey TZDGKCJCQTUKRL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5500
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/11221699; Labnumber: 0655; IOH_ID: IOH-005501