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rac-3-(Benzo[b]thiophen-3-yl)-3-hydroxypropanoic acid
SpectraBase Compound ID KJzD4asRP4i
InChI InChI=1S/C11H10O3S/c12-9(5-11(13)14)8-6-15-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5H2,(H,13,14)
InChIKey JCNNHLGZXSFYHK-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1yGw4hMkLo
Name rac-3-(Benzo[b]thiophen-3-yl)-3-hydroxypropanoic acid
Alternate Name(s) 3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid 3-(benzothiophen-3-yl)-3-hydroxy-propanoic acid 3-(1-benzothiophen-3-yl)-3-oxidanyl-propanoic acid
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Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c12-9(5-11(13)14)8-6-15-10-4-2-1-3-7(8)10/h1-4,6,9,12H,5H2,(H,13,14)
InChIKey JCNNHLGZXSFYHK-UHFFFAOYSA-N
Molecular Weight 222.258 g/mol
SMILES OC(CC(c1csc2c1cccc2)O)=O
SPLASH splash10-03di-0910000000-571accba12bc7c755ccf
Source of Spectrum QC-20-495-4d
Wiley ID 1688091