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3-Benzyl-5-chloro-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID x0m9QkheTw
InChI InChI=1S/C15H13ClNS.BrH/c1-11-17(10-12-5-3-2-4-6-12)14-9-13(16)7-8-15(14)18-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey UPIKPBCRCWICOB-UHFFFAOYSA-M
Mol Weight 354.693 g/mol
Molecular Formula C15H13BrClNS
Exact Mass 352.964061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZdLos56mes
Name 3-Benzyl-5-chloro-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.964061297 u
Formula C15H13BrClNS
InChI InChI=1S/C15H13ClNS.BrH/c1-11-17(10-12-5-3-2-4-6-12)14-9-13(16)7-8-15(14)18-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey UPIKPBCRCWICOB-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Quality 139
SMILES C1=CC2=C(C=C1Cl)[N+](=C(S2)C)CC1=CC=CC=C1.[Br-]
SPLASH splash10-006x-9080000000-3284bee9262d1a859bf4
Source of Spectrum QE-28-SM55-2z (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900752