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5-Chloro-3-(4-fluorobenzyl)-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID Lyaww9gtWja
InChI InChI=1S/C15H12ClFNS.BrH/c1-10-18(9-11-2-5-13(17)6-3-11)14-8-12(16)4-7-15(14)19-10;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKey OSBYTQRVERTJHN-UHFFFAOYSA-M
Mol Weight 372.683 g/mol
Molecular Formula C15H12BrClFNS
Exact Mass 370.954639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8paoIrSqOVh
Name 5-Chloro-3-(4-fluorobenzyl)-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.954639427 u
Formula C15H12BrClFNS
InChI InChI=1S/C15H12ClFNS.BrH/c1-10-18(9-11-2-5-13(17)6-3-11)14-8-12(16)4-7-15(14)19-10;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKey OSBYTQRVERTJHN-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Molecular Weight 372.683 g/mol
Quality 44
SMILES C1=CC2=C(C=C1Cl)[N+](=C(S2)C)CC1=CC=C(C=C1)F.[Br-]
SPLASH splash10-0a4i-1910000000-07b8d91b24ddb89e59dd
Source of Spectrum QE-28-SM56-2aa (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900726