quinolinium, 4-[(E)-2-(2-fluorophenyl)ethenyl]-1-(4-iodobutyl)-, iodide

SpectraBase Compound ID	4RZYkBpxVwG
InChI	InChI=1S/C21H20FIN.HI/c22-20-9-3-1-7-18(20)12-11-17-13-16-24(15-6-5-14-23)21-10-4-2-8-19(17)21;/h1-4,7-13,16H,5-6,14-15H2;1H/q+1;/p-1/b12-11+;
InChIKey	WFPUCDVLNUOVMG-CALJPSDSSA-M Google Search
Mol Weight	559.21 g/mol
Molecular Formula	C21H20FI2N
Exact Mass	558.966918 g/mol

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SpectraBase Spectrum ID	DElkUVKzxP
Name	quinolinium, 4-[(E)-2-(2-fluorophenyl)ethenyl]-1-(4-iodobutyl)-, iodide
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/C21H20FIN.HI/c22-20-9-3-1-7-18(20)12-11-17-13-16-24(15-6-5-14-23)21-10-4-2-8-19(17)21;/h1-4,7-13,16H,5-6,14-15H2;1H/q+1;/p-1/b12-11+;
InChIKey	WFPUCDVLNUOVMG-CALJPSDSSA-M
NMR Offset	15.0036
NMR Spectrometer Frequency	250.134
Observed nucleus	1H
Origin	1H_CB_8313_1368
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: NMR/8325333; Labnumber: UST-AL00017
Temperature	297 °C