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3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
SpectraBase Compound ID BPI5CcxEa8q
InChI InChI=1S/C17H14Cl2N2O2S/c1-9-2-5-13-14(6-9)21-17(20-13)24-15(16(22)23)8-10-7-11(18)3-4-12(10)19/h2-7,15H,8H2,1H3,(H,20,21)(H,22,23)
InChIKey GPIXLZMBKNGRSR-UHFFFAOYSA-N
Mol Weight 381.28 g/mol
Molecular Formula C17H14Cl2N2O2S
Exact Mass 380.015304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6poAsFGAY4
Name 3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
Alternate Name(s) 3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoic acid 3-(2,5-dichlorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propionic acid 3-[2,5-bis(chloranyl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
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Formula C17H14Cl2N2O2S
InChI InChI=1S/C17H14Cl2N2O2S/c1-9-2-5-13-14(6-9)21-17(20-13)24-15(16(22)23)8-10-7-11(18)3-4-12(10)19/h2-7,15H,8H2,1H3,(H,20,21)(H,22,23)
InChIKey GPIXLZMBKNGRSR-UHFFFAOYSA-N
Molecular Weight 381.277 g/mol
SMILES [nH]1c2ccc(cc2nc1SC(C(=O)O)Cc1c(ccc(c1)Cl)Cl)C
SPLASH splash10-03di-4913000000-4455209a3045fa5490c9
Wiley ID 1443270