Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxy-, chloride

SpectraBase Compound ID	8he1gt5TG6u
InChI	InChI=1S/C21H23Cl2N5O2S.ClH/c1-30-17-6-7-18-19(14-17)31-21(28(18)11-8-20(24)29)26-25-15-2-4-16(5-3-15)27(12-9-22)13-10-23;/h2-7,14H,8-13H2,1H3,(H-,24,29);1H
InChIKey	VZOOHWGPNLPIHR-UHFFFAOYSA-N Google Search
Mol Weight	516.88 g/mol
Molecular Formula	C21H24Cl3N5O2S
Exact Mass	515.071629 g/mol

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SpectraBase Spectrum ID	KF6qGoWI0Yh
Name	Benzothiazolium, 3-(3-amino-3-oxopropyl)-2-[[4-[bis(2-chloroethyl)amino]phenyl]azo]-6-methoxy-, chloride
CAS Registry Number	12221-37-3
Copyright	Copyright © 1989, 1990-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C21H24Cl3N5O2S
InChI	InChI=1S/C21H23Cl2N5O2S.ClH/c1-30-17-6-7-18-19(14-17)31-21(28(18)11-8-20(24)29)26-25-15-2-4-16(5-3-15)27(12-9-22)13-10-23;/h2-7,14H,8-13H2,1H3,(H-,24,29);1H
InChIKey	VZOOHWGPNLPIHR-UHFFFAOYSA-N
Instrument Name	Bruker IFS 85
Technique	KBr-Pellet