SpectraBase Spectrum ID |
3ATyd30OVyK |
Name |
3-(4-Bromobenzyl)-2-methylbenzo[d]thiazol-3-ium bromide |
Appearance |
Pink solid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C15H13Br2NS |
InChI |
InChI=1S/C15H13BrNS.BrH/c1-11-17(10-12-6-8-13(16)9-7-12)14-4-2-3-5-15(14)18-11;/h2-9H,10H2,1H3;1H/q+1;/p-1 |
InChIKey |
HRTSSUGXCASJDV-UHFFFAOYSA-M |
Instrument Name |
Finnigan MAT Triple-Quadrupol-spectrometer TSQ 7000 |
Ionization Type |
EI positive ion |
Literature Reference DOI |
10.1002/anie.201916396 |
Molecular Weight |
399.144 g/mol |
SMILES |
[Br-].c1cccc2c1sc([n+]2Cc1ccc(cc1)Br)C |
SPLASH |
splash10-014i-2906000000-b637bb98144dbedb909e |
Source of Spectrum |
ACI-59-SM17-2b |
Thin-Layer Chromatography |
Rf = 0.10 (n-hexane/acetone, 4:1) |
Wiley ID |
1857986 |