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IMPURITY-VI;2-[[[3-METHOXPROPOXY)-3-METHYL-2-PYRIDINE-1-OXIDE]-METHYL]-SULFINYL]-1H-BENZIMIDAZOLE
SpectraBase Compound ID GBEEQ9qEulT
InChI InChI=1S/C18H21N3O4S/c1-13-16(21(22)9-8-17(13)25-11-5-10-24-2)12-26(23)18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)
InChIKey ZOEQFVVMBAVTRU-UHFFFAOYSA-N
Mol Weight 375.44 g/mol
Molecular Formula C18H21N3O4S
Exact Mass 375.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8O8KDE60OgV
Name 2-{4'-[(3"-Methoxypropoxy)-3'-methyl-1'-oxidopyridin-2'-yl]methylsulfinyl}-1H-benzoimidazole
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Formula C18H21N3O4S
InChI InChI=1S/C18H21N3O4S/c1-13-16(21(22)9-8-17(13)25-11-5-10-24-2)12-26(23)18-19-14-6-3-4-7-15(14)20-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,19,20)
InChIKey ZOEQFVVMBAVTRU-UHFFFAOYSA-N
Molecular Weight 375.443 g/mol
SMILES [nH]1c2ccccc2nc1S(Cc1[n+](ccc(c1C)OCCCOC)[O-])=O
SPLASH splash10-0cdl-0940000000-0a09304226ab36521d04
Source of Spectrum AJ-43-1452-11
Synonyms 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxido-2-pyridin-1-iumyl]methylsulfinyl]-1H-benzimidazole 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidopyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole 2-[[4-(3-methoxypropoxy)-3-methyl-1-oxidanidyl-pyridin-1-ium-2-yl]methylsulfinyl]-1H-benzimidazole
Wiley ID 1594344