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(2R,6S,7R,9R)-2,9-Bis(phenylthiomethyl)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-one
SpectraBase Compound ID Ag6Eo384oqq
InChI InChI=1S/C26H30O5S2/c27-24-17-28-25(15-7-9-20(29-25)18-32-22-11-3-1-4-12-22)26(31-24)16-8-10-21(30-26)19-33-23-13-5-2-6-14-23/h1-6,11-14,20-21H,7-10,15-19H2/t20-,21-,25+,26-/m1/s1
InChIKey CHJJCJLSCBXSQC-YTFNCPKPSA-N
Mol Weight 486.64 g/mol
Molecular Formula C26H30O5S2
Exact Mass 486.153466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUuRuD4gtA0
Name (2R,6S,7R,9R)-2,9-Bis(phenylthiomethyl)-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-one
Alternate Name(s) (2R,6S,7R,9R)-2,9-bis[(phenylsulfanyl)methyl]-1,8,13,16-tetraoxadispiro[5.0.5.4]hexadecan-14-one (4R,6S,7R,11R)-4,11-bis(phenylsulfanylmethyl)-5,12,13,16-tetraoxadispiro[5.0.5^{7}.4^{6}]hexadecan-14-one
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Formula C26H30O5S2
InChI InChI=1S/C26H30O5S2/c27-24-17-28-25(15-7-9-20(29-25)18-32-22-11-3-1-4-12-22)26(31-24)16-8-10-21(30-26)19-33-23-13-5-2-6-14-23/h1-6,11-14,20-21H,7-10,15-19H2/t20-,21-,25+,26-/m1/s1
InChIKey CHJJCJLSCBXSQC-YTFNCPKPSA-N
Molecular Weight 486.641 g/mol
SMILES [C@]12([C@]3(O[C@@](CSc4ccccc4)(CCC3)[H])OCC(O1)=O)O[C@@](CSc1ccccc1)(CCC2)[H]
SPLASH splash10-0ab9-9600200000-d547b57a902b7846b2ad
Source of Spectrum KC-0-1651-4
Wiley ID 828498