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3-(4-Methoxybenzyl)-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID CI73qWK9nyt
InChI InChI=1S/C16H16NOS.BrH/c1-12-17(15-5-3-4-6-16(15)19-12)11-13-7-9-14(18-2)10-8-13;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey DSVACVQWLUUFBL-UHFFFAOYSA-M
Mol Weight 350.27 g/mol
Molecular Formula C16H16BrNOS
Exact Mass 349.013598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vQ7eixXGbv
Name 3-(4-Methoxybenzyl)-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Pink solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.013598312 u
Formula C16H16BrNOS
InChI InChI=1S/C16H16NOS.BrH/c1-12-17(15-5-3-4-6-16(15)19-12)11-13-7-9-14(18-2)10-8-13;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey DSVACVQWLUUFBL-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Quality 85
SMILES [Br-].C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)OC
SPLASH splash10-00di-0900000000-65de620b0b2b187c0073
Source of Spectrum QE-28-SM33-2d (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900731