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N-[4-(acetylamino)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 1opGWfDIj6x
InChI InChI=1S/C21H22ClN5O3S/c1-3-27-19(12-30-18-10-4-15(22)5-11-18)25-26-21(27)31-13-20(29)24-17-8-6-16(7-9-17)23-14(2)28/h4-11H,3,12-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKey VJXOZZNKZYSOHE-UHFFFAOYSA-N
Mol Weight 459.95 g/mol
Molecular Formula C21H22ClN5O3S
Exact Mass 459.113188 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClFJpqXMiUB
Name N-[4-(acetylamino)phenyl]-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)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/C21H22ClN5O3S/c1-3-27-19(12-30-18-10-4-15(22)5-11-18)25-26-21(27)31-13-20(29)24-17-8-6-16(7-9-17)23-14(2)28/h4-11H,3,12-13H2,1-2H3,(H,23,28)(H,24,29)
InChIKey VJXOZZNKZYSOHE-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4864
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: E08268; Labnumber: GRES-36856; SBI_ID: SBI-004866
Temperature 315 °C