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3-[2-(methylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate
SpectraBase Compound ID I1XZp3BBjOl
InChI InChI=1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey RREMLVIQMMQLLV-UHFFFAOYSA-N
Mol Weight 303.41 g/mol
Molecular Formula C11H13NO3S3
Exact Mass 303.005757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AMWsK9mKm
Name 3-[2-(methylsulfanyl)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate
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Formula C11H13NO3S3
InChI InChI=1S/C11H13NO3S3/c1-16-11-12(7-4-8-18(13,14)15)9-5-2-3-6-10(9)17-11/h2-3,5-6H,4,7-8H2,1H3
InChIKey RREMLVIQMMQLLV-UHFFFAOYSA-N
Molecular Weight 303.409 g/mol
SMILES c12ccccc2sc([n+]1CCCS(=O)([O-])=O)SC
SPLASH splash10-0a4l-9620000000-e4889d6fec6fdad125d6
Synonyms 3-(2-Methylsulfanyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate 3-[2-(methylthio)-1,3-benzothiazol-3-ium-3-yl]-1-propanesulfonate 3-[2-(methylthio)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Wiley ID 1439437