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3-(5-Methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
SpectraBase Compound ID LekxAlXFdXx
InChI InChI=1S/C12H15NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8H,3,6-7H2,1-2H3
InChIKey PPFNXRJKTUSEKT-UHFFFAOYSA-N
Mol Weight 301.38 g/mol
Molecular Formula C12H15NO4S2
Exact Mass 301.04425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qiZHd8D9eB
Name 3-(5-Methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)-1-propanesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO4S2
InChI InChI=1S/C12H15NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8H,3,6-7H2,1-2H3
InChIKey PPFNXRJKTUSEKT-UHFFFAOYSA-N
Molecular Weight 301.375 g/mol
SMILES c12cc(ccc2sc([n+]1CCCS(=O)([O-])=O)C)OC
SPLASH splash10-06vs-9600000000-edfa3944052817f7e24c
Synonyms 3-(5-Methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
Wiley ID 1439420