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(2R,Ss)-2-[(1R)-1-Hydroxy-1-(4-methylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 96vd5l7ncOH
InChI InChI=1S/C15H14O3S/c1-10-6-8-11(9-7-10)14(16)15-18-12-4-2-3-5-13(12)19(15)17/h2-9,14-16H,1H3/t14-,15-,19?/m1/s1
InChIKey BQKNKPNBLXGHIS-YCQNMSHMSA-N
Mol Weight 274.33 g/mol
Molecular Formula C15H14O3S
Exact Mass 274.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3uCuBRNJ0S
Name (2R,Ss)-2-[(1R)-1-Hydroxy-1-(4-methylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
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Formula C15H14O3S
InChI InChI=1S/C15H14O3S/c1-10-6-8-11(9-7-10)14(16)15-18-12-4-2-3-5-13(12)19(15)17/h2-9,14-16H,1H3/t14-,15-,19?/m1/s1
InChIKey BQKNKPNBLXGHIS-YCQNMSHMSA-N
Molecular Weight 274.334 g/mol
SMILES O[C@@]([C@]1(S(c2c(cccc2)O1)=O)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-05oc-3900000000-aaf9baae8605c3995dd3
Source of Spectrum F-57-10372-8
Synonyms (R)-(4-methylphenyl)-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]methanol (R)-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]-(p-tolyl)methanol (R)-(4-methylphenyl)-[(2R)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]methanol
Wiley ID 1626843