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2-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 8xEKyZbVWUm
InChI InChI=1S/C22H22ClF3N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-28-29-20(30(19)4)32-12-18(31)27-17-11-15(22(24,25)26)9-10-16(17)23/h5-11H,12H2,1-4H3,(H,27,31)
InChIKey FQJJGRRWZDYKJT-UHFFFAOYSA-N
Mol Weight 482.95 g/mol
Molecular Formula C22H22ClF3N4OS
Exact Mass 482.115495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xwCFXuxwRO
Name 2-{[5-(4-tert-butylphenyl)-4-methyl-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/C22H22ClF3N4OS/c1-21(2,3)14-7-5-13(6-8-14)19-28-29-20(30(19)4)32-12-18(31)27-17-11-15(22(24,25)26)9-10-16(17)23/h5-11H,12H2,1-4H3,(H,27,31)
InChIKey FQJJGRRWZDYKJT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14269
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: D98044; Labnumber: GRES-14838; SBI_ID: SBI-014272
Temperature 308 °C