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Malonic acid, 2-(2,3-dihydro-benzo[b]thiophen-5-yl)-2-hydroxy-, dimethyl ester
SpectraBase Compound ID niynUw7woK
InChI InChI=1S/C13H14O5S/c1-17-11(14)13(16,12(15)18-2)9-3-4-10-8(7-9)5-6-19-10/h3-4,7,16H,5-6H2,1-2H3
InChIKey GJCDEOVERGZLKU-UHFFFAOYSA-N
Mol Weight 282.31 g/mol
Molecular Formula C13H14O5S
Exact Mass 282.056195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7pTiGkgSiCh
Name Malonic acid, 2-(2,3-dihydro-benzo[b]thiophen-5-yl)-2-hydroxy-, dimethyl ester
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Formula C13H14O5S
InChI InChI=1S/C13H14O5S/c1-17-11(14)13(16,12(15)18-2)9-3-4-10-8(7-9)5-6-19-10/h3-4,7,16H,5-6H2,1-2H3
InChIKey GJCDEOVERGZLKU-UHFFFAOYSA-N
Molecular Weight 282.310 g/mol
SMILES OC(C(OC)=O)(C(=O)OC)c1cc2c(cc1)SCC2
SPLASH splash10-03di-2930000000-8e1fa9be0365d4a4300d
Synonyms 2-(2,3-dihydro-1-benzothiophen-5-yl)-2-hydroxypropanedioic acid dimethyl ester 2-(2,3-dihydrobenzothiophen-5-yl)-2-hydroxy-malonic acid dimethyl ester Dimethyl 2-(2,3-dihydro-1-benzothien-5-yl)-2-hydroxymalonate Dimethyl 2-(2,3-dihydro-1-benzothiophen-5-yl)-2-hydroxypropanedioate Dimethyl 2-(2,3-dihydro-1-benzothiophen-5-yl)-2-oxidanyl-propanedioate Dimethyl 2-(2,3-dihydrobenzothiophen-5-yl)-2-hydroxy-propanedioate
Wiley ID 1496217