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(1'.alpha.,4'.alpha.,8'S*)-2-(1',8'-Dimethoxy-8'-(methylthiomethyl)-7'-oxobicyclo[2.2.2]oct-5'-en-2'.beta.-yl)-1,3-dioxolane

View entire compound with spectra: 1 MS (GC)

(1'.alpha.,4'.alpha.,8'S*)-2-(1',8'-Dimethoxy-8'-(methylthiomethyl)-7'-oxobicyclo[2.2.2]oct-5'-en-2'.beta.-yl)-1,3-dioxolane
SpectraBase Compound ID eg4ih3iRLr
InChI InChI=1S/C15H22O5S/c1-17-14-5-4-10(8-11(14)12-19-6-7-20-12)15(18-2,9-21-3)13(14)16/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,14-,15-/m0/s1
InChIKey MKOWBTLJLRDEJP-GVARAGBVSA-N
Mol Weight 314.4 g/mol
Molecular Formula C15H22O5S
Exact Mass 314.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cGrayG94Rc
Name (1'.alpha.,4'.alpha.,8'S*)-2-(1',8'-Dimethoxy-8'-(methylthiomethyl)-7'-oxobicyclo[2.2.2]oct-5'-en-2'.beta.-yl)-1,3-dioxolane
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Formula C15H22O5S
InChI InChI=1S/C15H22O5S/c1-17-14-5-4-10(8-11(14)12-19-6-7-20-12)15(18-2,9-21-3)13(14)16/h4-5,10-12H,6-9H2,1-3H3/t10-,11-,14-,15-/m0/s1
InChIKey MKOWBTLJLRDEJP-GVARAGBVSA-N
Molecular Weight 314.396 g/mol
SMILES [C@@]12(C([C@](OC)(CSC)[C@](C=C2)([H])C[C@]1(C1OCCO1)[H])=O)OC
SPLASH splash10-00di-9000000000-be615fcfcca6c15c273d
Source of Spectrum KC-0-568-8
Synonyms (1S,3S,4R,7R)-7-(1,3-dioxolan-2-yl)-1,3-dimethoxy-3-[(methylsulfanyl)methyl]bicyclo[2.2.2]oct-5-en-2-one
Wiley ID 787500