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3-Benzyl-5-methoxy-2-methylbenzo[d]thiazol-3-iumbromide
SpectraBase Compound ID 7xLJa1Z3ryq
InChI InChI=1S/C16H16NOS.BrH/c1-12-17(11-13-6-4-3-5-7-13)15-10-14(18-2)8-9-16(15)19-12;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey VSFWFIUVVLVICF-UHFFFAOYSA-M
Mol Weight 350.274 g/mol
Molecular Formula C16H16BrNOS
Exact Mass 349.013598 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LyRqIgH3icN
Name 3-Benzyl-5-methoxy-2-methylbenzo[d]thiazol-3-iumbromide
Appearance Colorless 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(11-13-6-4-3-5-7-13)15-10-14(18-2)8-9-16(15)19-12;/h3-10H,11H2,1-2H3;1H/q+1;/p-1
InChIKey VSFWFIUVVLVICF-UHFFFAOYSA-M
Instrument Name Finnigan MAT TSQ 7000
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.202202579
Molecular Weight 350.274 g/mol
Quality 208
SMILES C1=CC2=C(C=C1OC)[N+](=C(S2)C)CC1=CC=CC=C1.[Br-]
SPLASH splash10-014i-3790000000-f411a0ead5ee568ac73b
Source of Spectrum QE-28-SM51-2v (DOI: 10.1002/chem.202202579)
Thin-Layer Chromatography 0.10 (n-hexane/acetone, 1:1)
Wiley ID 1900749