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2-(4-Methoxyphenyl)-4,6-dimethyl[1,3]oxathiane
SpectraBase Compound ID 42xTTutBEfk
InChI InChI=1S/C13H18O2S/c1-9-8-10(2)16-13(15-9)11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3
InChIKey JLTBWVRXARLIML-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L64HxF9NFgu
Name 2-(4-Methoxyphenyl)-4,6-dimethyl[1,3]oxathiane
Alternate Name(s) 2-(4-Methoxyphenyl)-4,6-dimethyl-1,3-oxathiane
Comments Note: The molecular formula of the structure shown is C13H18O2S - which differs from the formula reported for the mass spectrum (C13H17DO2S)
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Formula C13H17DO2S
InChI InChI=1S/C13H18O2S/c1-9-8-10(2)16-13(15-9)11-4-6-12(14-3)7-5-11/h4-7,9-10,13H,8H2,1-3H3
InChIKey JLTBWVRXARLIML-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES C1C(SC(OC1C)c1ccc(cc1)OC)C
SPLASH splash10-01p9-9400000000-95e5057d886437caeec7
Wiley ID 1482428