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2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID HroK2BHwt5l
InChI InChI=1S/C23H18ClFN4O2S/c1-31-20-12-10-19(11-13-20)29-22(15-2-4-16(24)5-3-15)27-28-23(29)32-14-21(30)26-18-8-6-17(25)7-9-18/h2-13H,14H2,1H3,(H,26,30)
InChIKey DZKHCZWRWXEIMP-UHFFFAOYSA-N
Mol Weight 468.93 g/mol
Molecular Formula C23H18ClFN4O2S
Exact Mass 468.082303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EpK4DnBEEPs
Name 2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)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/C23H18ClFN4O2S/c1-31-20-12-10-19(11-13-20)29-22(15-2-4-16(24)5-3-15)27-28-23(29)32-14-21(30)26-18-8-6-17(25)7-9-18/h2-13H,14H2,1H3,(H,26,30)
InChIKey DZKHCZWRWXEIMP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4541
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: D99139; Labnumber: GRES-32092; SBI_ID: SBI-004543
Temperature 315 °C