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2-Methyl-3-(4-methylbenzyl)benzo[d]thiazol-3-iumbromide
SpectraBase Compound ID Jqc706BY654
InChI InChI=1S/C16H16NS.BrH/c1-12-7-9-14(10-8-12)11-17-13(2)18-16-6-4-3-5-15(16)17;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey DAGGQFXVPFMHOA-UHFFFAOYSA-M
Mol Weight 334.27 g/mol
Molecular Formula C16H16BrNS
Exact Mass 333.018684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fIhNhpdmKO
Name 2-Methyl-3-(4-methylbenzyl)benzo[d]thiazol-3-iumbromide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.018683693 u
Formula C16H16BrNS
InChI InChI=1S/C16H16NS.BrH/c1-12-7-9-14(10-8-12)11-17-13(2)18-16-6-4-3-5-15(16)17;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey DAGGQFXVPFMHOA-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Molecular Weight 334.275 g/mol
Quality 102
SMILES [Br-].C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)C
SPLASH splash10-0pb9-2960000000-5c07475ea4a8db0abda2
Source of Spectrum QE-28-SM35-2f (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900733