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2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide
SpectraBase Compound ID 5c52mCEbsXB
InChI InChI=1S/C20H20ClFN4O2S/c1-3-26-18(11-28-16-8-5-14(21)6-9-16)24-25-20(26)29-12-19(27)23-15-7-4-13(2)17(22)10-15/h4-10H,3,11-12H2,1-2H3,(H,23,27)
InChIKey NZLVXZJBHACWOX-UHFFFAOYSA-N
Mol Weight 434.92 g/mol
Molecular Formula C20H20ClFN4O2S
Exact Mass 434.097953 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtcG2vTVq8Z
Name 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)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/C20H20ClFN4O2S/c1-3-26-18(11-28-16-8-5-14(21)6-9-16)24-25-20(26)29-12-19(27)23-15-7-4-13(2)17(22)10-15/h4-10H,3,11-12H2,1-2H3,(H,23,27)
InChIKey NZLVXZJBHACWOX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11264
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: E06553; Labnumber: GRES-24606; SBI_ID: SBI-011267
Temperature 308 °C