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(2R,3R)-6-keto-2-phenethyl-tetrahydropyran-3-carbothioic acid S-ethyl ester
SpectraBase Compound ID GOpONyYzZ8N
InChI InChI=1S/C16H20O3S/c1-2-20-16(18)13-9-11-15(17)19-14(13)10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKey JJWSQRRMDZNVRY-ZIAGYGMSSA-N
Mol Weight 292.39 g/mol
Molecular Formula C16H20O3S
Exact Mass 292.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHkJQJVDSvq
Name (2R,3R)-6-keto-2-phenethyl-tetrahydropyran-3-carbothioic acid S-ethyl ester
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Formula C16H20O3S
InChI InChI=1S/C16H20O3S/c1-2-20-16(18)13-9-11-15(17)19-14(13)10-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14-/m1/s1
InChIKey JJWSQRRMDZNVRY-ZIAGYGMSSA-N
Molecular Weight 292.393 g/mol
SMILES [C@]1([C@](OC(CC1)=O)(CCc1ccccc1)[H])(C(=O)SCC)[H]
SPLASH splash10-1003-7910000000-49490f64e9453ec4ef47
Source of Spectrum J-62-6689-13
Synonyms (2R,3R)-6-oxo-2-(2-phenylethyl)-3-oxanecarbothioic acid S-ethyl ester S-ethyl (2R,3R)-6-oxo-2-(2-phenylethyl)oxane-3-carbothioate S-ethyl (2R,3R)-6-oxo-2-(2-phenylethyl)tetrahydropyran-3-carbothioate
Wiley ID 1295352