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3-({1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid
SpectraBase Compound ID 8ZOAq1m4hzx
InChI InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)
InChIKey KGCGDYADLNUQIH-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C19H20N2O3S
Exact Mass 356.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9JiByDMBGVk
Name 3-({1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid
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Formula C19H20N2O3S
InChI InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-11-21-17-5-3-2-4-16(17)20-19(21)25-13-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)
InChIKey KGCGDYADLNUQIH-UHFFFAOYSA-N
Molecular Weight 356.440 g/mol
SMILES OC(CCSc1[n](c2ccccc2n1)CCOc1ccc(cc1)C)=O
SPLASH splash10-0fb9-5900000000-c8b988ce5d2a4e47c8b0
Synonyms 3-[1-(2-p-tolyloxy-ethyl)-1H-benzoimidazol-2-ylsulfanyl]-propionic acid 3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid 3-[[1-[2-(4-methylphenoxy)ethyl]-2-benzimidazolyl]thio]propanoic acid 3-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]thio]propionic acid
Wiley ID 1451911