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4-(2-methylphenyl)-5-(phenoxymethyl)-2-(1-piperidinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

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4-(2-methylphenyl)-5-(phenoxymethyl)-2-(1-piperidinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
SpectraBase Compound ID 3K4CU3MdOmk
InChI InChI=1S/C22H26N4OS/c1-18-10-6-7-13-20(18)26-21(16-27-19-11-4-2-5-12-19)23-25(22(26)28)17-24-14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey HTXJAXWWSKROML-UHFFFAOYSA-N
Mol Weight 394.54 g/mol
Molecular Formula C22H26N4OS
Exact Mass 394.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2aUr6LwrIro
Name 4-(2-methylphenyl)-5-(phenoxymethyl)-2-(1-piperidinylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
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/C22H26N4OS/c1-18-10-6-7-13-20(18)26-21(16-27-19-11-4-2-5-12-19)23-25(22(26)28)17-24-14-8-3-9-15-24/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey HTXJAXWWSKROML-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5451
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/11221583; Labnumber: 0525; IOH_ID: IOH-005452