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trans-1-[5,6-Dihydro-2,7-dimethyl-6-phenyl-1,4-oxathiin-3-yl]ethanone
SpectraBase Compound ID JrlYCveINXj
InChI InChI=1S/C14H16O2S/c1-9(15)14-10(2)16-13(11(3)17-14)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3/t11-,13+/m0/s1
InChIKey SXBJALDASQAHMB-WCQYABFASA-N
Mol Weight 248.34 g/mol
Molecular Formula C14H16O2S
Exact Mass 248.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQiZFuOMDrB
Name trans-1-[5,6-Dihydro-2,7-dimethyl-6-phenyl-1,4-oxathiin-3-yl]ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C14H16O2S
InChI InChI=1S/C14H16O2S/c1-9(15)14-10(2)16-13(11(3)17-14)12-7-5-4-6-8-12/h4-8,11,13H,1-3H3/t11-,13+/m0/s1
InChIKey SXBJALDASQAHMB-WCQYABFASA-N
Molecular Weight 248.340 g/mol
SMILES C=1(S[C@@](C)([C@@](OC1C)(c1ccccc1)[H])[H])C(=O)C
SPLASH splash10-014j-0950000000-f7f5126fa62d936d1a35
Source of Spectrum J-60-6424-25
Synonyms trans-1-[5,6-Dihydro-2,5-dimethyl-6-phenyl-1,4-oxathiin-3-yl]ethanone
Wiley ID 1251022