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Ethyl-3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate
SpectraBase Compound ID 7IImt2h6eXR
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7,10,14H,2,8H2,1H3
InChIKey NKQOUGAEIUSRQI-UHFFFAOYSA-N
Mol Weight 250.31 g/mol
Molecular Formula C13H14O3S
Exact Mass 250.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tpe7wKnhXM
Name Ethyl-3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate
Alternate Name(s) 3-(1-benzothiophen-2-yl)-3-hydroxypropanoic acid ethyl ester Ethyl 3-(1-benzothiophen-2-yl)-3-hydroxypropanoate Ethyl 3-(benzothiophen-2-yl)-3-hydroxy-propanoate Ethyl 3-(1-benzothiophen-2-yl)-3-oxidanyl-propanoate
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Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)8-10(14)12-7-9-5-3-4-6-11(9)17-12/h3-7,10,14H,2,8H2,1H3
InChIKey NKQOUGAEIUSRQI-UHFFFAOYSA-N
Molecular Weight 250.312 g/mol
SMILES OC(CC(=O)OCC)c1sc2ccccc2c1
SPLASH splash10-0nmi-2940000000-51c78ac5dc8ce18c99ba
Source of Spectrum QC-20-494-2b
Wiley ID 1688100