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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 7aqDg4gaZDt
InChI InChI=1S/C20H18ClF3N4O2S/c1-2-28-17(11-30-16-8-6-14(21)7-9-16)26-27-19(28)31-12-18(29)25-15-5-3-4-13(10-15)20(22,23)24/h3-10H,2,11-12H2,1H3,(H,25,29)
InChIKey YYOZWKJARYWWCT-UHFFFAOYSA-N
Mol Weight 470.9 g/mol
Molecular Formula C20H18ClF3N4O2S
Exact Mass 470.079109 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Le5Nd1IGebh
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[3-(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/C20H18ClF3N4O2S/c1-2-28-17(11-30-16-8-6-14(21)7-9-16)26-27-19(28)31-12-18(29)25-15-5-3-4-13(10-15)20(22,23)24/h3-10H,2,11-12H2,1H3,(H,25,29)
InChIKey YYOZWKJARYWWCT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11554
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: E06488; Labnumber: GRES-23324; SBI_ID: SBI-011557
Temperature 318 °C