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2-[1-Hydroxy-1-(4-methylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 9yhyr4UHabv
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
InChIKey BQKNKPNBLXGHIS-UHFFFAOYSA-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 AJU4s4vrzA4
Name 2-[1-Hydroxy-1-(4-methylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
InChIKey BQKNKPNBLXGHIS-UHFFFAOYSA-N
Molecular Weight 274.334 g/mol
SMILES OC(C1S(c2c(cccc2)O1)=O)c1ccc(cc1)C
SPLASH splash10-00m3-4900000000-b12ee6b4d3d79ac77895
Source of Spectrum F-57-10372-6
Synonyms (2R,Rs)-2-[(1S)-1-Hydroxy-1-(4-methylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide (4-methylphenyl)(3-oxido-1,3-benzoxathiol-2-yl)methanol
Wiley ID 1626845