1-hydroxy-3-(4-methoxyphenyl)-1-(3-nitrophenyl)-1H,2H,5H,6H,7H,8H-pyrazolo[1,2-a]pyridazin-4-ium bromide

SpectraBase Compound ID	6frug7D3z8t
InChI	InChI=1S/C20H22N3O4.BrH/c1-27-18-9-7-15(8-10-18)19-14-20(24,22-12-3-2-11-21(19)22)16-5-4-6-17(13-16)23(25)26;/h4-10,13,24H,2-3,11-12,14H2,1H3;1H/q+1;/p-1
InChIKey	BDWPRPWFNCAWLK-UHFFFAOYSA-M Google Search
Mol Weight	448.32 g/mol
Molecular Formula	C20H22BrN3O4
Exact Mass	447.079369 g/mol

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SpectraBase Spectrum ID	6DAfDQe69R9
Name	1-hydroxy-3-(4-methoxyphenyl)-1-(3-nitrophenyl)-1H,2H,5H,6H,7H,8H-pyrazolo[1,2-a]pyridazin-4-ium bromide
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/C20H22N3O4.BrH/c1-27-18-9-7-15(8-10-18)19-14-20(24,22-12-3-2-11-21(19)22)16-5-4-6-17(13-16)23(25)26;/h4-10,13,24H,2-3,11-12,14H2,1H3;1H/q+1;/p-1
InChIKey	BDWPRPWFNCAWLK-UHFFFAOYSA-M
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_16594
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: 987/00004105; Labnumber: 987/00004105218850; VK_ID: VK-016599
Temperature	318 °C