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4-amino-5-[(2,6-dimethylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol
SpectraBase Compound ID 3L14UXpuUVC
InChI InChI=1S/C11H14N4OS/c1-7-4-3-5-8(2)10(7)16-6-9-13-14-11(17)15(9)12/h3-5H,6,12H2,1-2H3,(H,14,17)
InChIKey HNKHNHDGPWCQSO-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C11H14N4OS
Exact Mass 250.088832 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ABhRl1N8tT6
Name 4-amino-5-[(2,6-dimethylphenoxy)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/C11H14N4OS/c1-7-4-3-5-8(2)10(7)16-6-9-13-14-11(17)15(9)12/h3-5H,6,12H2,1-2H3,(H,14,17)
InChIKey HNKHNHDGPWCQSO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6603
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/11261464; Labnumber: LP-2111119; IOH_ID: IOH-006604
Synonyms 4-amino-5-[(2,6-dimethylphenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide