N-(1-(4-bromophenyl)-2-(methylthio)-1,3-diazaspiro[4.5]dec-2-en-4-ylidene)-3-(trifluoromethyl)benzenaminium iodide

SpectraBase Compound ID	JnXVcggDZ6k
InChI	InChI=1S/C22H21BrF3N3S.HI/c1-30-20-28-19(27-17-7-5-6-15(14-17)22(24,25)26)21(12-3-2-4-13-21)29(20)18-10-8-16(23)9-11-18;/h5-11,14H,2-4,12-13H2,1H3;1H/b27-19-;
InChIKey	ZCLUIPDXNVKWEO-MORRFHCESA-N Google Search
Mol Weight	624.3 g/mol
Molecular Formula	C22H22BrF3IN3S
Exact Mass	622.971461 g/mol

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SpectraBase Spectrum ID	H7ldFrUTOMP
Name	N-(1-(4-bromophenyl)-2-(methylthio)-1,3-diazaspiro[4.5]dec-2-en-4-ylidene)-3-(trifluoromethyl)benzenaminium 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/C22H21BrF3N3S.HI/c1-30-20-28-19(27-17-7-5-6-15(14-17)22(24,25)26)21(12-3-2-4-13-21)29(20)18-10-8-16(23)9-11-18;/h5-11,14H,2-4,12-13H2,1H3;1H/b27-19-;
InChIKey	ZCLUIPDXNVKWEO-MORRFHCESA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_8516_3221
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: ZI/6050130; Labnumber: NP-TP-534; IOH_ID: IOH-010224