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4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID HqKivDWzKFr
InChI InChI=1S/C12H15N3OS/c1-8-5-4-6-10(7-8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)
InChIKey NLTQFKRQWMFDAF-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 4n5hpCu24Wn
Name 4-methyl-5-[1-(3-methylphenoxy)ethyl]-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/c1-8-5-4-6-10(7-8)16-9(2)11-13-14-12(17)15(11)3/h4-7,9H,1-3H3,(H,14,17)
InChIKey NLTQFKRQWMFDAF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6897
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/1267584; Labnumber: COL3665; UZI_ID: UZI-006899
Synonyms 4-methyl-5-[1-(3-methylphenoxy)ethyl]-4H-1,2,4-triazol-3-yl hydrosulfide
Temperature 318 °C