For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 4BoYN19noKd
InChI InChI=1S/C25H21F3N4OS2/c1-17-8-7-9-18(14-17)32-22(15-34-19-10-3-2-4-11-19)30-31-24(32)35-16-23(33)29-21-13-6-5-12-20(21)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
InChIKey UEMIWXNKJNRQFI-UHFFFAOYSA-N
Mol Weight 514.59 g/mol
Molecular Formula C25H21F3N4OS2
Exact Mass 514.110888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CXlg1d4jtdF
Name 2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(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/C25H21F3N4OS2/c1-17-8-7-9-18(14-17)32-22(15-34-19-10-3-2-4-11-19)30-31-24(32)35-16-23(33)29-21-13-6-5-12-20(21)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
InChIKey UEMIWXNKJNRQFI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6692
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: NMR/11261914; Labnumber: 1492; IOH_ID: IOH-006693