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rac 3-Ethyl-3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate
SpectraBase Compound ID EhyiE8uPWBE
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)7-11(14)10-8-17-12-6-4-3-5-9(10)12/h3-6,8,11,14H,2,7H2,1H3
InChIKey SMXNFNYECBSEEN-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 LoMQlueg2TU
Name rac 3-Ethyl-3-(benzo[b]thiophen-2-yl)-3-hydroxypropanoate
Alternate Name(s) 3-(1-benzothiophen-3-yl)-3-hydroxypropanoic acid ethyl ester Ethyl 3-(1-benzothiophen-3-yl)-3-hydroxypropanoate Ethyl 3-(benzothiophen-3-yl)-3-hydroxy-propanoate Ethyl 3-(1-benzothiophen-3-yl)-3-oxidanyl-propanoate
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Formula C13H14O3S
InChI InChI=1S/C13H14O3S/c1-2-16-13(15)7-11(14)10-8-17-12-6-4-3-5-9(10)12/h3-6,8,11,14H,2,7H2,1H3
InChIKey SMXNFNYECBSEEN-UHFFFAOYSA-N
Molecular Weight 250.312 g/mol
SMILES OC(c1csc2c1cccc2)CC(=O)OCC
SPLASH splash10-000f-9720000000-769dfbcb88539c1471e8
Source of Spectrum QC-20-494-2d
Wiley ID 1688098