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

*Links on SpectraBase are not permalinks.
phenol, 2-[5-mercapto-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl]-
SpectraBase Compound ID WYbEPdC8es
InChI InChI=1S/C15H10F3N3O2S/c16-15(17,18)23-10-7-5-9(6-8-10)21-13(19-20-14(21)24)11-3-1-2-4-12(11)22/h1-8,22H,(H,20,24)
InChIKey CKVAYFDPBFGHDW-UHFFFAOYSA-N
Mol Weight 353.32 g/mol
Molecular Formula C15H10F3N3O2S
Exact Mass 353.044582 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 A7hz9mArfQ1
Name phenol, 2-[5-mercapto-4-[4-(trifluoromethoxy)phenyl]-4H-1,2,4-triazol-3-yl]-
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/C15H10F3N3O2S/c16-15(17,18)23-10-7-5-9(6-8-10)21-13(19-20-14(21)24)11-3-1-2-4-12(11)22/h1-8,22H,(H,20,24)
InChIKey CKVAYFDPBFGHDW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6983
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/18277200; Labnumber: OBK-8564