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(2R,6R)-2,6-Dimethoxy-4-methyl-3,5-dioxa-tricyclo[5.2.1.0*4,8*]decane-9-carbothioic acid S-methyl ester
SpectraBase Compound ID 6Dd0qJyoNth
InChI InChI=1S/C13H20O5S/c1-13-9-7(12(16-3)18-13)5-6(11(15-2)17-13)8(9)10(14)19-4/h6-9,11-12H,5H2,1-4H3/t6-,7+,8+,9+,11+,12+,13+/m0/s1
InChIKey ZAVBULHVHDGPDF-VAPZVGLISA-N
Mol Weight 288.36 g/mol
Molecular Formula C13H20O5S
Exact Mass 288.103145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHxKGqPuevb
Name (2S,6R)-2,6-Dimethoxy-4-methyl-3,5-dioxa-tricyclo[5.2.1.0*4,8*]decane-9-carbothioic acid S-methyl ester
Alternate Name(s) 4-Methyl-2.beta.,6.alpha.-dimethoxy-8.alpha.-methylthiocarboxyl-3,5-dioxatricyclo[5.2.1.0.(4,9)]-decane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O5S
InChI InChI=1S/C13H20O5S/c1-13-9-7(12(16-3)18-13)5-6(11(15-2)17-13)8(9)10(14)19-4/h6-9,11-12H,5H2,1-4H3/t6-,7+,8+,9+,11+,12+,13+/m0/s1
InChIKey ZAVBULHVHDGPDF-VAPZVGLISA-N
Molecular Weight 288.358 g/mol
SMILES [C@@]12([C@]3([C@](C(=O)SC)([C@@]([C@@](O2)(OC)[H])(C[C@]3([C@@](O1)(OC)[H])[H])[H])[H])[H])C
SPLASH splash10-0udi-0950000000-3b25720850edd68c978e
Source of Spectrum F-67-7242-25
Wiley ID 1687314