4-Amino-5-(4-tert-butyl-phenoxymethyl)-4H-[1,2,4]triazole-3-thiol

SpectraBase Compound ID	IkrNsL4zFg1
InChI	InChI=1S/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)
InChIKey	SMZUXYWGELHKIX-UHFFFAOYSA-N Google Search
Mol Weight	278.37 g/mol
Molecular Formula	C13H18N4OS
Exact Mass	278.120132 g/mol

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SpectraBase Spectrum ID	5j3PTGxY4OP
Name	4-amino-5-[(4-tert-butylphenoxy)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/C13H18N4OS/c1-13(2,3)9-4-6-10(7-5-9)18-8-11-15-16-12(19)17(11)14/h4-7H,8,14H2,1-3H3,(H,16,19)
InChIKey	SMZUXYWGELHKIX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_5821
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/11231555; Labnumber: LP-2110498; IOH_ID: IOH-005822
Synonyms	4-amino-5-[(4-tert-butylphenoxy)methyl]-4H-1,2,4-triazol-3-yl hydrosulfide