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1-[4'-(Hydroxycarbonyl)benzyl]-5-formyl-2-(methylthio)-imidazole
SpectraBase Compound ID 1uLDyfe1qUn
InChI InChI=1S/C13H12N2O3S/c1-19-13-14-6-11(8-16)15(13)7-9-2-4-10(5-3-9)12(17)18/h2-6,8H,7H2,1H3,(H,17,18)
InChIKey NFUFZTONVGJSES-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C13H12N2O3S
Exact Mass 276.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxQ95bGNLCw
Name 1-[4'-(Hydroxycarbonyl)benzyl]-5-formyl-2-(methylthio)-imidazole
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Formula C13H12N2O3S
InChI InChI=1S/C13H12N2O3S/c1-19-13-14-6-11(8-16)15(13)7-9-2-4-10(5-3-9)12(17)18/h2-6,8H,7H2,1H3,(H,17,18)
InChIKey NFUFZTONVGJSES-UHFFFAOYSA-N
Molecular Weight 276.310 g/mol
SMILES OC(c1ccc(C[n]2c(ncc2C=O)SC)cc1)=O
SPLASH splash10-002s-9310000000-ecf01fcb1d628d51bf7a
Source of Spectrum Y-39-371-3
Synonyms 4-{[5-formyl-2-(methylsulfanyl)-1H-imidazol-1-yl]methyl}benzoic acid 4-[[5-formyl-2-(methylthio)-1-imidazolyl]methyl]benzoic acid 4-[(5-formyl-2-methylsulfanylimidazol-1-yl)methyl]benzoic acid 4-[(5-formyl-2-methylsulfanyl-imidazol-1-yl)methyl]benzoic acid 4-[(5-methanoyl-2-methylsulfanyl-imidazol-1-yl)methyl]benzoic acid
Wiley ID 1528456