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

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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 48ZhXmDdwhT
InChI InChI=1S/C25H19Cl2F3N4O3S/c1-36-18-9-5-17(6-10-18)34-22(13-37-19-7-2-15(26)3-8-19)32-33-24(34)38-14-23(35)31-21-11-4-16(27)12-20(21)25(28,29)30/h2-12H,13-14H2,1H3,(H,31,35)
InChIKey KWARPLDHXCAWLK-UHFFFAOYSA-N
Mol Weight 583.41 g/mol
Molecular Formula C25H19Cl2F3N4O3S
Exact Mass 582.050702 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 590yail34h3
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-chloro-2-(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/C25H19Cl2F3N4O3S/c1-36-18-9-5-17(6-10-18)34-22(13-37-19-7-2-15(26)3-8-19)32-33-24(34)38-14-23(35)31-21-11-4-16(27)12-20(21)25(28,29)30/h2-12H,13-14H2,1H3,(H,31,35)
InChIKey KWARPLDHXCAWLK-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4911
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: E08355; Labnumber: GRES-36961; SBI_ID: SBI-004913
Temperature 308 °C