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3-(4-(tert-Butyl)benzyl)-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID 2NOSdnO7x8i
InChI InChI=1S/C19H22NS.BrH/c1-14-20(17-7-5-6-8-18(17)21-14)13-15-9-11-16(12-10-15)19(2,3)4;/h5-12H,13H2,1-4H3;1H/q+1;/p-1
InChIKey OKWPOXQZROUZMP-UHFFFAOYSA-M
Mol Weight 376.36 g/mol
Molecular Formula C19H22BrNS
Exact Mass 375.065634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lak6W8VAi4G
Name 3-(4-(tert-Butyl)benzyl)-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Colorless solid
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Exact Mass 375.065633886 u
Formula C19H22BrNS
InChI InChI=1S/C19H22NS.BrH/c1-14-20(17-7-5-6-8-18(17)21-14)13-15-9-11-16(12-10-15)19(2,3)4;/h5-12H,13H2,1-4H3;1H/q+1;/p-1
InChIKey OKWPOXQZROUZMP-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Quality 138
SMILES [Br-].C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)C(C)(C)C
SPLASH splash10-0002-0930000000-c58992e54537ad5ca513
Source of Spectrum QE-28-SM34-2e (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900732