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(3S,4S)-Methyl 6-phenyl-4-(4-tolyl)-3,4-dihydrothiopyran-3(2H)-carboxylate
SpectraBase Compound ID LZHB0demOnB
InChI InChI=1S/C20H20O2S/c1-14-8-10-15(11-9-14)17-12-19(16-6-4-3-5-7-16)23-13-18(17)20(21)22-2/h3-12,17-18H,13H2,1-2H3/t17-,18-/m0/s1
InChIKey JAPWXZOIUYCHQV-ROUUACIJSA-N
Mol Weight 324.44 g/mol
Molecular Formula C20H20O2S
Exact Mass 324.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7D37iMyupTy
Name (3S,4S)-Methyl 6-phenyl-4-(4-tolyl)-3,4-dihydrothiopyran-3(2H)-carboxylate
Alternate Name(s) cis-Methyl 6-phenyl-4-(4-tolyl)-3,4-dihydrothiopyran-3(2H)-carboxylate Methyl (3S,4S)-4-(4-methylphenyl)-6-phenyl-3,4-dihydro-2H-thiopyran-3-carboxylate
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Formula C20H20O2S
InChI InChI=1S/C20H20O2S/c1-14-8-10-15(11-9-14)17-12-19(16-6-4-3-5-7-16)23-13-18(17)20(21)22-2/h3-12,17-18H,13H2,1-2H3/t17-,18-/m0/s1
InChIKey JAPWXZOIUYCHQV-ROUUACIJSA-N
Molecular Weight 324.438 g/mol
SMILES [C@@]1([C@@](C=C(SC1)c1ccccc1)(c1ccc(cc1)C)[H])(C(=O)OC)[H]
SPLASH splash10-00di-0092000000-9a9f39bbbcac1e7c1e78
Source of Spectrum KC-1992-2947-5
Wiley ID 777277