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(2S,3R)-3-Phenyl-[1,4]dithiane-2-carboxylic acid methyl ester
SpectraBase Compound ID Jncx8SBovSa
InChI InChI=1S/C12H14O2S2/c1-14-12(13)11-10(15-7-8-16-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m1/s1
InChIKey CADYBNSEIOUGIF-GHMZBOCLSA-N
Mol Weight 254.36 g/mol
Molecular Formula C12H14O2S2
Exact Mass 254.043522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERtvhtlPJlo
Name (2S,3R)-3-Phenyl-[1,4]dithiane-2-carboxylic acid methyl ester
Alternate Name(s) Methyl (2S,3R)-3-phenyl-1,4-dithiane-2-carboxylate Methyl cis-3-phenyl-1,4-dithiane-2-carboxylate
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Formula C12H14O2S2
InChI InChI=1S/C12H14O2S2/c1-14-12(13)11-10(15-7-8-16-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/t10-,11-/m1/s1
InChIKey CADYBNSEIOUGIF-GHMZBOCLSA-N
Molecular Weight 254.362 g/mol
SMILES [C@]1([C@](SCCS1)(c1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-00di-1910000000-b8572cff969895d4f394
Source of Spectrum F-62-3615-2
Wiley ID 1633009