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2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID IeLaYdqEe8I
InChI InChI=1S/C25H21F3N4OS2/c1-17-7-5-10-20(13-17)32-22(15-34-21-11-3-2-4-12-21)30-31-24(32)35-16-23(33)29-19-9-6-8-18(14-19)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
InChIKey ATJQZSIISWWUPI-UHFFFAOYSA-N
Mol Weight 514.59 g/mol
Molecular Formula C25H21F3N4OS2
Exact Mass 514.110888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 66HWjNmrb6A
Name 2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-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/C25H21F3N4OS2/c1-17-7-5-10-20(13-17)32-22(15-34-21-11-3-2-4-12-21)30-31-24(32)35-16-23(33)29-19-9-6-8-18(14-19)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
InChIKey ATJQZSIISWWUPI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6707
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/11261945; Labnumber: 1525; IOH_ID: IOH-006708