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

SpectraBase Compound ID	I5AlYEHDXaX
InChI	InChI=1S/C14H21N7O3/c1-2-23-14(22)11-10(9-20-7-5-3-4-6-8-20)21(19-16-11)13-12(15)17-24-18-13/h2-9H2,1H3,(H2,15,17)
InChIKey	QHACGIFDGCBLQT-UHFFFAOYSA-N Google Search
Mol Weight	335.37 g/mol
Molecular Formula	C14H21N7O3
Exact Mass	335.170588 g/mol

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SpectraBase Spectrum ID	3gJVAFdEDJG
Name	1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(hexahydro-1H-azepin-1-yl)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/C14H21N7O3/c1-2-23-14(22)11-10(9-20-7-5-3-4-6-8-20)21(19-16-11)13-12(15)17-24-18-13/h2-9H2,1H3,(H2,15,17)
InChIKey	QHACGIFDGCBLQT-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_7785
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/001912; IOH_ID: IOH-014790