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2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID B3V7u9wmW99
InChI InChI=1S/C25H20ClF3N4OS/c1-15-3-7-17(8-4-15)23-31-32-24(33(23)19-10-5-16(2)6-11-19)35-14-22(34)30-21-13-18(25(27,28)29)9-12-20(21)26/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey IVEHWXSMKAQNCX-UHFFFAOYSA-N
Mol Weight 516.97 g/mol
Molecular Formula C25H20ClF3N4OS
Exact Mass 516.099845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H9K2RUjPuj
Name 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(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/C25H20ClF3N4OS/c1-15-3-7-17(8-4-15)23-31-32-24(33(23)19-10-5-16(2)6-11-19)35-14-22(34)30-21-13-18(25(27,28)29)9-12-20(21)26/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey IVEHWXSMKAQNCX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4401
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: D98950; Labnumber: GRES-28895; SBI_ID: SBI-004403
Temperature 308 °C