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4H-1,2,4-triazole-3-thiol, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-
SpectraBase Compound ID 5vS4x3CseI4
InChI InChI=1S/C21H23N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,23,26)
InChIKey QRSCMYBTERWHIX-UHFFFAOYSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H23N3OS
Exact Mass 365.156184 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7lbNHRkPLw7
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-
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/C21H23N3OS/c26-21-23-22-20(24(21)18-9-5-2-6-10-18)15-25-19-13-11-17(12-14-19)16-7-3-1-4-8-16/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,23,26)
InChIKey QRSCMYBTERWHIX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3753
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/17231795; Labnumber: c_bloc-432