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1,3-Dimethyl-2-methylthio-4-oxo-5-[[N'-(methoxymethyl)indol-3-yl]methylene]imidazolium salt
SpectraBase Compound ID 39wciPkbHUB
InChI InChI=1S/C17H20N3O2S/c1-18-15(16(21)19(2)17(18)23-4)9-12-10-20(11-22-3)14-8-6-5-7-13(12)14/h5-10H,11H2,1-4H3/q+1/b15-9-
InChIKey JEOBPZLVWCZPPM-DHDCSXOGSA-N
Mol Weight 330.43 g/mol
Molecular Formula C17H20N3O2S
Exact Mass 330.127623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUhKp47HSTM
Name 1,3-Dimethyl-2-methylthio-4-oxo-5-[[N'-(methoxymethyl)indol-3-yl]methylene]imidazolium salt
Comments Less than 3 mono-isotopic peaks
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Formula C17H20N3O2S
InChI InChI=1S/C17H20N3O2S/c1-18-15(16(21)19(2)17(18)23-4)9-12-10-20(11-22-3)14-8-6-5-7-13(12)14/h5-10H,11H2,1-4H3/q+1/b15-9-
InChIKey JEOBPZLVWCZPPM-DHDCSXOGSA-N
Molecular Weight 330.426 g/mol
SMILES C1(=[N+](\C(C(N1C)=O)=C\c1c[n](COC)c2c1cccc2)C)SC
SPLASH splash10-014i-0009000000-d8e4478e646ede9dfa93
Source of Spectrum F-50-2252-30
Synonyms (4Z)-4-{[1-(methoxymethyl)-1H-indol-3-yl]methylene}-1,3-dimethyl-2-(methylsulfanyl)-5-oxo-4,5-dihydro-1H-imidazol-3-ium
Wiley ID 1327710