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1,12-Dodecanediol, 5,8-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, bis(4-methylbenzenesulfonate), [R-(R*,R*)]-
SpectraBase Compound ID 6sLIQQ8Cih9
InChI InChI=1S/C38H66O8S2Si2/c1-31-19-25-35(26-20-31)47(39,40)43-29-15-13-17-33(45-49(9,10)37(3,4)5)23-24-34(46-50(11,12)38(6,7)8)18-14-16-30-44-48(41,42)36-27-21-32(2)22-28-36/h19-22,25-28,33-34H,13-18,23-24,29-30H2,1-12H3/t33-,34-/m1/s1
InChIKey JLQWYDGCZYGEGA-KKLWWLSJSA-N
Mol Weight 771.2 g/mol
Molecular Formula C38H66O8S2Si2
Exact Mass 770.373764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je3i7aDe6uH
Name 1,12-Dodecanediol, 5,8-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, bis(4-methylbenzenesulfonate), [R-(R*,R*)]-
CAS Registry Number 131618-51-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H66O8S2Si2
InChI InChI=1S/C38H66O8S2Si2/c1-31-19-25-35(26-20-31)47(39,40)43-29-15-13-17-33(45-49(9,10)37(3,4)5)23-24-34(46-50(11,12)38(6,7)8)18-14-16-30-44-48(41,42)36-27-21-32(2)22-28-36/h19-22,25-28,33-34H,13-18,23-24,29-30H2,1-12H3/t33-,34-/m1/s1
InChIKey JLQWYDGCZYGEGA-KKLWWLSJSA-N
Molecular Weight 771.228 g/mol
SMILES c1(S(=O)(=O)OCCCC[C@@](O[Si](C(C)(C)C)(C)C)(CC[C@](O[Si](C(C)(C)C)(C)C)(CCCCOS(c2ccc(cc2)C)(=O)=O)[H])[H])ccc(cc1)C
SPLASH splash10-01t9-0490000000-9d1d1fb71421556c1ecb
Source of Spectrum J-56-1392-28
Synonyms (5R,8R)-5,8-bis[(tert-butyldimethylsilyl)oxy]-1,12-bis-[(p-tolylsulfonyl)oxy]dodecane (5R,8R)-5,8-bis{[tert-butyl(dimethyl)silyl]oxy}-12-{[(4-methylphenyl)sulfonyl]oxy}dodecyl 4-methylbenzenesulfonate
Wiley ID 1416715