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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

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2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 6y3c0MfwQpq
InChI InChI=1S/C28H26ClF3N4O2S/c1-27(2,3)18-7-5-17(6-8-18)25-34-35-26(36(25)20-10-12-21(38-4)13-11-20)39-16-24(37)33-23-15-19(28(30,31)32)9-14-22(23)29/h5-15H,16H2,1-4H3,(H,33,37)
InChIKey GVPYTDDFKHOZSW-UHFFFAOYSA-N
Mol Weight 575.05 g/mol
Molecular Formula C28H26ClF3N4O2S
Exact Mass 574.141709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KzmHRd05xGH
Name 2-{[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-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/C28H26ClF3N4O2S/c1-27(2,3)18-7-5-17(6-8-18)25-34-35-26(36(25)20-10-12-21(38-4)13-11-20)39-16-24(37)33-23-15-19(28(30,31)32)9-14-22(23)29/h5-15H,16H2,1-4H3,(H,33,37)
InChIKey GVPYTDDFKHOZSW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17398
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: D25577; Labnumber: GRES-04660; SBI_ID: SBI-017401
Temperature 308 °C