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3-(4-Fluorobenzyl)-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID 7iSUlQr99Ny
InChI InChI=1S/C15H13FNS.BrH/c1-11-17(10-12-6-8-13(16)9-7-12)14-4-2-3-5-15(14)18-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey ILHYCIWQOCCREC-UHFFFAOYSA-M
Mol Weight 338.24 g/mol
Molecular Formula C15H13BrFNS
Exact Mass 336.993612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9wJnFApJgUg
Name 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 336.993611760 u
Formula C15H13BrFNS
InChI InChI=1S/C15H13FNS.BrH/c1-11-17(10-12-6-8-13(16)9-7-12)14-4-2-3-5-15(14)18-11;/h2-9H,10H2,1H3;1H/q+1;/p-1
InChIKey ILHYCIWQOCCREC-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Molecular Weight 338.238 g/mol
Quality 117
SMILES [Br-].C1=CC2=C(C=C1)[N+](=C(S2)C)CC1=CC=C(C=C1)F
SPLASH splash10-0a4i-0940000000-f623f9bac03bf473f916
Source of Spectrum QE-28-SM42-2m (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900740