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cis-3-Hydroxy-4-methyl-3-phenyl-5-thiacycloheptanelactone
SpectraBase Compound ID 80WV2Q3vlnC
InChI InChI=1S/C12H14O3S/c1-9-12(14,10-5-3-2-4-6-10)11(13)15-7-8-16-9/h2-6,9,14H,7-8H2,1H3/t9-,12-/m0/s1
InChIKey WALIQWVAZLCJJE-CABZTGNLSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpoTufcgDlI
Name cis-3-Hydroxy-4-methyl-3-phenyl-5-thiacycloheptanelactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-9-12(14,10-5-3-2-4-6-10)11(13)15-7-8-16-9/h2-6,9,14H,7-8H2,1H3/t9-,12-/m0/s1
InChIKey WALIQWVAZLCJJE-CABZTGNLSA-N
Molecular Weight 238.301 g/mol
SMILES O[C@]1(C(OCCS[C@]1(C)[H])=O)c1ccccc1
SPLASH splash10-0a4i-9800000000-e726a779cd6d83c3791f
Source of Spectrum F-53-2763-2
Synonyms (5S,6S)-6-hydroxy-5-methyl-6-phenyl-1,4-oxathiepan-7-one
Wiley ID 800642