3-(3-cyanopropyl)-2-(1-hydroxyethyl)benzo[d]thiazol-3-ium bromide

SpectraBase Compound ID	CIGQx8CWwSp
InChI	InChI=1S/C13H15N2OS.BrH/c1-10(16)13-15(9-5-4-8-14)11-6-2-3-7-12(11)17-13;/h2-3,6-7,10,16H,4-5,9H2,1H3;1H/q+1;/p-1
InChIKey	UMINLIDGFZLEHO-UHFFFAOYSA-M Google Search
Mol Weight	327.24 g/mol
Molecular Formula	C13H15BrN2OS
Exact Mass	326.008847 g/mol

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SpectraBase Spectrum ID	9DzTfgtXBkW
Name	3-(3-cyanopropyl)-2-(1-hydroxyethyl)benzo[d]thiazol-3-ium bromide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H15BrN2OS
InChI	InChI=1S/C13H15N2OS.BrH/c1-10(16)13-15(9-5-4-8-14)11-6-2-3-7-12(11)17-13;/h2-3,6-7,10,16H,4-5,9H2,1H3;1H/q+1;/p-1
InChIKey	UMINLIDGFZLEHO-UHFFFAOYSA-M
Molecular Weight	327.240 g/mol
SMILES	[Br-].OC(C)c1sc2ccccc2[n+]1CCCC#N
SPLASH	splash10-0f79-6940000000-0a75a0586fbb70a0d140
Source of Spectrum	JX-2015-3-456
Wiley ID	1724022