4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(E)-(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate

SpectraBase Compound ID	FNinuTNNspp
InChI	InChI=1S/C16H12N2O4S.C12H15N4O/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h1-10,19H,(H,20,21,22);3-7H,8,13H2,1-2H3/q;+1/p-1/b18-17+;
InChIKey	ODILWIOLBXLJSL-ZAGWXBKKSA-M Google Search
Mol Weight	558.61 g/mol
Molecular Formula	C28H26N6O5S
Exact Mass	558.168539 g/mol

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SpectraBase Spectrum ID	C6sZgsun8pc
Name	4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(E)-(4-hydroxy-1-naphthyl)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/C16H12N2O4S.C12H15N4O/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;1-9-14-15(10(2)16(9)13)8-12(17)11-6-4-3-5-7-11/h1-10,19H,(H,20,21,22);3-7H,8,13H2,1-2H3/q;+1/p-1/b18-17+;
InChIKey	ODILWIOLBXLJSL-ZAGWXBKKSA-M
NMR Offset	18.4433
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16651
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: 987/00004181; Labnumber: 987/00004181218851; VK_ID: VK-016656
Synonyms	4-amino-3,5-dimethyl-1-(2-oxo-2-phenylethyl)-4H-1,2,4-triazol-1-ium 4-[(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate
Temperature	318 °C