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5-[1-(3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 5oKIzycXgyo
InChI InChI=1S/C13H17N3OS/c1-8-5-9(2)7-11(6-8)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)
InChIKey LJDJGXJZJMRNNA-UHFFFAOYSA-N
Mol Weight 263.36 g/mol
Molecular Formula C13H17N3OS
Exact Mass 263.109233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39BjoxxSAcW
Name 5-[1-(3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazole-3-thiol
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/C13H17N3OS/c1-8-5-9(2)7-11(6-8)17-10(3)12-14-15-13(18)16(12)4/h5-7,10H,1-4H3,(H,15,18)
InChIKey LJDJGXJZJMRNNA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6888
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: UZI/1267397; Labnumber: COL3654; UZI_ID: UZI-006890
Synonyms 5-[1-(3,5-dimethylphenoxy)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C