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3-Allylbenzothiazolium bromide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-Allylbenzothiazolium bromide
SpectraBase Compound ID 2KKUzenRKCX
InChI InChI=1S/C10H10NS.BrH/c1-2-7-11-8-12-10-6-4-3-5-9(10)11;/h2-6,8H,1,7H2;1H/q+1;/p-1
InChIKey MEYXQRPXVJWXBZ-UHFFFAOYSA-M
Mol Weight 256.16 g/mol
Molecular Formula C10H10BrNS
Exact Mass 254.971733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1oU8oRcqWm
Name 3-Allylbenzothiazolium bromide
Alternate Name(s) 3-Allylbenzo[d]thiazol-3-ium bromide 3-Prop-2-enyl-1,3-benzothiazol-3-ium;bromide
CAS Registry Number 16407-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10BrNS
InChI InChI=1S/C10H10NS.BrH/c1-2-7-11-8-12-10-6-4-3-5-9(10)11;/h2-6,8H,1,7H2;1H/q+1;/p-1
InChIKey MEYXQRPXVJWXBZ-UHFFFAOYSA-M
Molecular Weight 256.161 g/mol
SMILES [Br-].C=CC[n+]1csc2ccccc12
SPLASH splash10-000i-9800000000-064f9d9e4615e7bee4a0
Source of Spectrum JX-2015-1-905
Wiley ID 1721676