For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-(4-Bromobenzyl)-2-methylbenzo[d]thiazol-3-ium bromide
SpectraBase Compound ID K6PZYVBTrK6
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
Mol Weight 399.14 g/mol
Molecular Formula C15H13Br2NS
Exact Mass 396.913547 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

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