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[(E)-(3R,5R)-3-[(tert-Butyldimethylsilyl)oxy]-5-hydroxy-4-[3'-[((tert-butyldimethylsilyl)oxy)propylidene]]cyclohexanone
SpectraBase Compound ID 8Ux9Y9xfg8n
InChI InChI=1S/C21H42O4Si2/c1-20(2,3)26(7,8)24-13-11-12-17-18(23)14-16(22)15-19(17)25-27(9,10)21(4,5)6/h12,18-19,23H,11,13-15H2,1-10H3/b17-12+/t18-,19-/m1/s1
InChIKey IOFTZPBXBCJAPO-JBZHALFFSA-N
Mol Weight 414.7 g/mol
Molecular Formula C21H42O4Si2
Exact Mass 414.262163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Uo3agX3bTb
Name [(E)-(3R,5R)-3-[(tert-Butyldimethylsilyl)oxy]-5-hydroxy-4-[3'-[((tert-butyldimethylsilyl)oxy)propylidene]]cyclohexanone
Appearance Oil
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Formula C21H42O4Si2
InChI InChI=1S/C21H42O4Si2/c1-20(2,3)26(7,8)24-13-11-12-17-18(23)14-16(22)15-19(17)25-27(9,10)21(4,5)6/h12,18-19,23H,11,13-15H2,1-10H3/b17-12+/t18-,19-/m1/s1
InChIKey IOFTZPBXBCJAPO-JBZHALFFSA-N
Ionization Type EI
Molecular Weight 414.733 g/mol
Optical Rotation [a]24D = +550 (c = 1.17, CHCl3)
Reported Formula C21H42O4Si2
SMILES O[C@@]1(CC(C[C@](\C1=C/CCO[Si](C(C)(C)C)(C)C)(O[Si](C)(C)C(C)(C)C)[H])=O)[H]
SPLASH splash10-05di-7079000000-f2e7f89c65b491b3d5e6
Sample Comments major
Source of Spectrum US8188064B2
Wiley ID 1845242