1-[2-(4-bromoanilino)-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane 4-[(E)-(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate

SpectraBase Compound ID	A7LtrAVXgxa
InChI	InChI=1S/C16H12N2O4S.C14H18BrN3O/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;15-12-1-3-13(4-2-12)16-14(19)11-18-8-5-17(6-9-18)7-10-18/h1-10,19H,(H,20,21,22);1-4H,5-11H2/b18-17+;
InChIKey	LCJJDAYZRFYJEG-ZAGWXBKKSA-N Google Search
Mol Weight	652.56 g/mol
Molecular Formula	C30H30BrN5O5S
Exact Mass	651.115103 g/mol

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SpectraBase Spectrum ID	F0Z1XLnZ7nE
Name	1-[2-(4-bromoanilino)-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane 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.C14H18BrN3O/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;15-12-1-3-13(4-2-12)16-14(19)11-18-8-5-17(6-9-18)7-10-18/h1-10,19H,(H,20,21,22);1-4H,5-11H2/b18-17+;
InChIKey	LCJJDAYZRFYJEG-ZAGWXBKKSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14689
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: 987/00000237; Labnumber: 987/00000237218801; VK_ID: VK-014694
Synonyms	1-[2-(4-bromoanilino)-2-oxoethyl]-4-aza-1-azoniabicyclo[2.2.2]octane 4-[(4-hydroxy-1-naphthyl)diazenyl]benzenesulfonate
Temperature	318 °C