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2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID rXDyssJiEi
InChI InChI=1S/C24H18ClF3N4OS/c1-15-9-11-18(12-10-15)32-22(19-7-2-3-8-20(19)25)30-31-23(32)34-14-21(33)29-17-6-4-5-16(13-17)24(26,27)28/h2-13H,14H2,1H3,(H,29,33)
InChIKey BGRXASORUKSPAU-UHFFFAOYSA-N
Mol Weight 502.94 g/mol
Molecular Formula C24H18ClF3N4OS
Exact Mass 502.084195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1R0ZIjXLnIy
Name 2-{[5-(2-chlorophenyl)-4-(4-methylphenyl)-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/C24H18ClF3N4OS/c1-15-9-11-18(12-10-15)32-22(19-7-2-3-8-20(19)25)30-31-23(32)34-14-21(33)29-17-6-4-5-16(13-17)24(26,27)28/h2-13H,14H2,1H3,(H,29,33)
InChIKey BGRXASORUKSPAU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4482
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: D99020; Labnumber: GRES-30209; SBI_ID: SBI-004484
Temperature 315 °C