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4-(3-Methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(3-Methoxyphenyl)-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID EZR86GxR1AP
InChI InChI=1S/C12H15N3OS/c1-8(2)11-13-14-12(17)15(11)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3,(H,14,17)
InChIKey CEJDDNOCLMLOAQ-UHFFFAOYSA-N
Mol Weight 249.33 g/mol
Molecular Formula C12H15N3OS
Exact Mass 249.093583 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LKV7Fpn5YRc
Name 4H-1,2,4-triazole-3-thiol, 4-(3-methoxyphenyl)-5-(1-methylethyl)-
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/C12H15N3OS/c1-8(2)11-13-14-12(17)15(11)9-5-4-6-10(7-9)16-3/h4-8H,1-3H3,(H,14,17)
InChIKey CEJDDNOCLMLOAQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_4902
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/17317067; Labnumber: OBK-8177