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3,6-dimethyl-2-[p-(dimethylamino)phneyl]benzothiazolium bromide
SpectraBase Compound ID ATuelCzwvmj
InChI InChI=1S/C17H19N2S.BrH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey WMPDQLXFSCRILT-UHFFFAOYSA-M
Mol Weight 363.32 g/mol
Molecular Formula C17H19BrN2S
Exact Mass 362.045233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JKt3vUBck1
Name Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, bromide
Alternate Name(s) 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium bromide 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline bromide [4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)phenyl]-dimethyl-amine bromide 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethylaniline;bromide 4-(3,6-dimethyl-1,3-benzothiazol-3-ium-2-yl)-N,N-dimethyl-aniline;bromide
CAS Registry Number 47070-04-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19BrN2S
InChI InChI=1S/C17H19N2S.BrH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey WMPDQLXFSCRILT-UHFFFAOYSA-M
Molecular Weight 363.317 g/mol
SMILES [Br-].c1([n+](c2c(s1)cc(cc2)C)C)-c1ccc(N(C)C)cc1
SPLASH splash10-014i-8290000000-53caa09c4ee9bf6bb358
Source of Spectrum W5-31626-0-0
Wiley ID 1349393