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2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 5pEtnPXrxlV
InChI InChI=1S/C23H24ClF3N4OS/c1-5-31-20(14-6-8-15(9-7-14)22(2,3)4)29-30-21(31)33-13-19(32)28-18-12-16(23(25,26)27)10-11-17(18)24/h6-12H,5,13H2,1-4H3,(H,28,32)
InChIKey JFCIVJCBURQWKX-UHFFFAOYSA-N
Mol Weight 496.98 g/mol
Molecular Formula C23H24ClF3N4OS
Exact Mass 496.131145 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HaeBiszX4nx
Name 2-{[5-(4-tert-butylphenyl)-4-ethyl-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/C23H24ClF3N4OS/c1-5-31-20(14-6-8-15(9-7-14)22(2,3)4)29-30-21(31)33-13-19(32)28-18-12-16(23(25,26)27)10-11-17(18)24/h6-12H,5,13H2,1-4H3,(H,28,32)
InChIKey JFCIVJCBURQWKX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4101
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: D98566; Labnumber: GRES-22812; SBI_ID: SBI-004103
Temperature 318 °C