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4H-1,2,4-triazole-3-thiol, 5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-
SpectraBase Compound ID FN1NqEmu1Xf
InChI InChI=1S/C17H17N3OS/c1-13-7-5-6-10-15(13)21-12-16-18-19-17(22)20(16)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKey PSORKIJFZOFJRX-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ryvBAo0vT3
Name 4H-1,2,4-triazole-3-thiol, 5-[(2-methylphenoxy)methyl]-4-(phenylmethyl)-
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/C17H17N3OS/c1-13-7-5-6-10-15(13)21-12-16-18-19-17(22)20(16)11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,22)
InChIKey PSORKIJFZOFJRX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3761
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/17231809; Labnumber: c_bloc-449