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N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CNwJvaZk31X
InChI InChI=1S/C22H19ClN4OS2/c23-17-8-10-18(11-9-17)24-20(28)15-30-22-26-25-21(19-7-4-14-29-19)27(22)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,24,28)
InChIKey MWYQWXYZKAYCMN-UHFFFAOYSA-N
Mol Weight 454.99 g/mol
Molecular Formula C22H19ClN4OS2
Exact Mass 454.068881 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BBfap9IE9oz
Name N-(4-chlorophenyl)-2-{[4-(2-phenylethyl)-5-(2-thienyl)-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/C22H19ClN4OS2/c23-17-8-10-18(11-9-17)24-20(28)15-30-22-26-25-21(19-7-4-14-29-19)27(22)13-12-16-5-2-1-3-6-16/h1-11,14H,12-13,15H2,(H,24,28)
InChIKey MWYQWXYZKAYCMN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29133
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: D91251; Labnumber: VGU-0022748; SBI_ID: SBI-029137
Temperature 318 °C