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.beta.Butyl-.beta.-(4-thien-3-yl-imidazol-2-ylthio)acetic acid
SpectraBase Compound ID 24vROAXIW4Z
InChI InChI=1S/C13H16N2O2S2/c1-2-3-4-11(12(16)17)19-13-14-7-10(15-13)9-5-6-18-8-9/h5-8,11H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKey DEFOZYOGLLXFSW-UHFFFAOYSA-N
Mol Weight 296.4 g/mol
Molecular Formula C13H16N2O2S2
Exact Mass 296.06532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vM6MdOohPR
Name .beta.Butyl-.beta.-(4-thien-3-yl-imidazol-2-ylthio)acetic acid
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Formula C13H16N2O2S2
InChI InChI=1S/C13H16N2O2S2/c1-2-3-4-11(12(16)17)19-13-14-7-10(15-13)9-5-6-18-8-9/h5-8,11H,2-4H2,1H3,(H,14,15)(H,16,17)
InChIKey DEFOZYOGLLXFSW-UHFFFAOYSA-N
Molecular Weight 296.403 g/mol
SMILES [nH]1cc(nc1SC(C(=O)O)CCCC)-c1cscc1
SPLASH splash10-057r-1390000000-57438fa0acaace348908
Source of Spectrum EMC-34-888-18
Synonyms .beta.Butyl-.beta.-(4-thienylimidazol-2-ylthio)acetic acid 2-((4-(thiophen-3-yl)-1H-imidazol-2-yl)thio)hexanoic acid 2-[[5-(3-thiophenyl)-1H-imidazol-2-yl]thio]hexanoic acid 2-[[5-(3-thienyl)-1H-imidazol-2-yl]sulfanyl]hexanoic acid 2-[(5-thiophen-3-yl-1H-imidazol-2-yl)sulfanyl]hexanoic acid
Wiley ID 1734564