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4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID KLl65xmTcW9
InChI InChI=1S/C12H15N3OS/c1-3-15-11(13-14-12(15)17)8-16-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKey SKWYYPGBQTZOQF-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 K4IGQX6cozl
Name 4-ethyl-5-[(2-methylphenoxy)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/C12H15N3OS/c1-3-15-11(13-14-12(15)17)8-16-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,14,17)
InChIKey SKWYYPGBQTZOQF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6937
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/1267809; Labnumber: COL3756; UZI_ID: UZI-006939
Synonyms 4-ethyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C