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2-Methyl-3-(naphthalene-2-ylmethyl)benzo[d]thiazol-3-iumbromide
SpectraBase Compound ID EbgXfEju0PE
InChI InChI=1S/C19H16NS.BrH/c1-14-20(18-8-4-5-9-19(18)21-14)13-15-10-11-16-6-2-3-7-17(16)12-15;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey JJQYCKUITGAQIK-UHFFFAOYSA-M
Mol Weight 370.308 g/mol
Molecular Formula C19H16BrNS
Exact Mass 369.018684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hYuqwXKGUC
Name 2-Methyl-3-(naphthalene-2-ylmethyl)benzo[d]thiazol-3-iumbromide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.018683693 u
Formula C19H16BrNS
InChI InChI=1S/C19H16NS.BrH/c1-14-20(18-8-4-5-9-19(18)21-14)13-15-10-11-16-6-2-3-7-17(16)12-15;/h2-12H,13H2,1H3;1H/q+1;/p-1
InChIKey JJQYCKUITGAQIK-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Quality 35
SMILES C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C2C(=C1)C=CC=C2.[Br-]
SPLASH splash10-0006-0910000000-501db1f896b6591a7f96
Source of Spectrum QE-28-SM50-2u (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900748