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4H-1,2,4-triazole-3-thiol, 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-
SpectraBase Compound ID DlvXOgCi4dx
InChI InChI=1S/C16H21N3OS/c1-19-15(17-18-16(19)21)11-20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,18,21)
InChIKey QHAARBCHUDMHMT-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7gj0Ua2Ko9b
Name 4H-1,2,4-triazole-3-thiol, 5-[(4-cyclohexylphenoxy)methyl]-4-methyl-
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/C16H21N3OS/c1-19-15(17-18-16(19)21)11-20-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3,(H,18,21)
InChIKey QHAARBCHUDMHMT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3751
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/17231793; Labnumber: c_bloc-428