4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzenesulfonate

SpectraBase Compound ID	9fX9T4lIj1e
InChI	InChI=1S/C14H15N3O3S.C12H15N4O/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20);3-7H,8,13H2,1-2H3/q;+1/p-1/b16-15+;
InChIKey	CMYLCVQERMSUSX-GEEYTBSJSA-M Google Search
Mol Weight	535.62 g/mol
Molecular Formula	C26H29N7O4S
Exact Mass	535.200174 g/mol

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SpectraBase Spectrum ID	KedfIlhm8b2
Name	4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-{(E)-[4-(dimethylamino)phenyl]diazenyl}benzenesulfonate
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/C14H15N3O3S.C12H15N4O/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)21(18,19)20;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19,20);3-7H,8,13H2,1-2H3/q;+1/p-1/b16-15+;
InChIKey	CMYLCVQERMSUSX-GEEYTBSJSA-M
NMR Offset	18.4433
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16652
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: 987/00004182; Labnumber: 987/00004182218851; VK_ID: VK-016657
Synonyms	4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-{[4-(dimethylamino)phenyl]diazenyl}benzenesulfonate
Temperature	318 °C