1-(4-Amino-furazan-3-yl)-5-thiocyanatomethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester

SpectraBase Compound ID	CEh4YK2tyUq
InChI	InChI=1S/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)
InChIKey	PTYBIUSKHLXFSX-UHFFFAOYSA-N Google Search
Mol Weight	295.28 g/mol
Molecular Formula	C9H9N7O3S
Exact Mass	295.048758 g/mol

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SpectraBase Spectrum ID	BalJFSanihZ
Name	1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(cyanothio)methyl]-, ethyl ester
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/C9H9N7O3S/c1-2-18-9(17)6-5(3-20-4-10)16(15-12-6)8-7(11)13-19-14-8/h2-3H2,1H3,(H2,11,13)
InChIKey	PTYBIUSKHLXFSX-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_7806
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: ZERO/001930; IOH_ID: IOH-014811