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2-(4-Methoxyphenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-oxathiin
SpectraBase Compound ID BV2N7L8kh46
InChI InChI=1S/C16H20O4S/c1-5-19-16(17)15-10(2)20-14(11(3)21-15)12-6-8-13(18-4)9-7-12/h6-9,11,14H,5H2,1-4H3/t11-,14+/m0/s1
InChIKey CKCZBTVTXXVCBK-SMDDNHRTSA-N
Mol Weight 308.39 g/mol
Molecular Formula C16H20O4S
Exact Mass 308.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Age4Hs5XsNi
Name 2-(4-Methoxyphenyl)-5-ethoxycarbonyl-2,6-dimethyl-1,4-oxathiin
Alternate Name(s) 2-(S)-(4-Methoxyphenyl)-5-ethoxycarbonyl-3-(S),6-dimethyl-1,4-oxathiin Ethyl 6-(4-methoxyphenyl)-2,6-dimethyl-5,6-dihydro-1,4-oxathiin-3-carboxylate
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Formula C16H20O4S
InChI InChI=1S/C16H20O4S/c1-5-19-16(17)15-10(2)20-14(11(3)21-15)12-6-8-13(18-4)9-7-12/h6-9,11,14H,5H2,1-4H3/t11-,14+/m0/s1
InChIKey CKCZBTVTXXVCBK-SMDDNHRTSA-N
Molecular Weight 308.392 g/mol
SMILES C=1(S[C@@](C)([C@@](OC1C)(c1ccc(cc1)OC)[H])[H])C(=O)OCC
SPLASH splash10-0002-0912000000-31797caa6dd07217e897
Source of Spectrum F-52-12240-13
Wiley ID 798790