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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)

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SpectraBase Spectrum ID 1lBgyy0M74L
Name 3-(4-Bromobenzyl)-2-methylbenzo[d]thiazol-3-ium bromide
Appearance Pink solid
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Exact Mass 396.913546597 u
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 Triple-Quadrupole-spectrometer TSQ 7000
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/chem.202102052
Molecular Weight 399.144 g/mol
Quality 388
SMILES C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)Br.[Br-]
SPLASH splash10-014i-2906000000-b637bb98144dbedb909e
Source of Spectrum QE-27-SM18-2 (DOI: 10.1002/chem.202102052)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 4:1)
Wiley ID 1902197