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(2S,Ss)-2-[(1S)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 1A7pMQjQdkp
InChI InChI=1S/C15H14O4S/c1-18-11-8-6-10(7-9-11)14(16)15-19-12-4-2-3-5-13(12)20(15)17/h2-9,14-16H,1H3/t14-,15-,20?/m0/s1
InChIKey QFVONBTWKZNBJW-HGUAOMBGSA-N
Mol Weight 290.33 g/mol
Molecular Formula C15H14O4S
Exact Mass 290.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXXrZvpTHIM
Name (2S,Ss)-2-[(1S)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
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Formula C15H14O4S
InChI InChI=1S/C15H14O4S/c1-18-11-8-6-10(7-9-11)14(16)15-19-12-4-2-3-5-13(12)20(15)17/h2-9,14-16H,1H3/t14-,15-,20?/m0/s1
InChIKey QFVONBTWKZNBJW-HGUAOMBGSA-N
Molecular Weight 290.333 g/mol
SMILES O[C@]([C@@]1(S(c2c(cccc2)O1)=O)[H])(c1ccc(cc1)OC)[H]
SPLASH splash10-000i-2900000000-fd21b122fb501255d48f
Source of Spectrum F-57-10371-7
Synonyms (S)-(4-methoxyphenyl)-[(2S)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]methanol (S)-(4-methoxyphenyl)-[(2S)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]methanol
Wiley ID 1626850