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2-[(1S,7aR)-7a-methyl-5-[(1R,4S)-1-methyl-2,4-bis[tris(trideuteriomethyl)silyloxy]cyclohexyl]-1-octyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethoxy-tris(trideuteriomethyl)silane
SpectraBase Compound ID AknfKfsPFeY
InChI InChI=1S/C36H74O3Si3/c1-13-14-15-16-17-18-19-29-20-21-32-31(24-27-37-40(4,5)6)33(23-26-35(29,32)2)36(3)25-22-30(38-41(7,8)9)28-34(36)39-42(10,11)12/h29-34H,13-28H2,1-12H3/t29-,30-,31?,32?,33?,34?,35+,36+/m0/s1/i4D3,5D3,6D3,7D3,8D3,9D3,10D3,11D3,12D3
InChIKey PTIJSAHPXJZPGG-MLCKGWIUSA-N
Mol Weight 666.4 g/mol
Molecular Formula C36H47D27O3Si3
Exact Mass 665.664048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hn9d9Iit1zD
Name 2-[(1S,7aR)-7a-methyl-5-[(1R,4S)-1-methyl-2,4-bis[tris(trideuteriomethyl)silyloxy]cyclohexyl]-1-octyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethoxy-tris(trideuteriomethyl)silane
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Formula C36H47D27O3Si3
InChI InChI=1S/C36H74O3Si3/c1-13-14-15-16-17-18-19-29-20-21-32-31(24-27-37-40(4,5)6)33(23-26-35(29,32)2)36(3)25-22-30(38-41(7,8)9)28-34(36)39-42(10,11)12/h29-34H,13-28H2,1-12H3/t29-,30-,31?,32?,33?,34?,35+,36+/m0/s1/i4D3,5D3,6D3,7D3,8D3,9D3,10D3,11D3,12D3
InChIKey PTIJSAHPXJZPGG-MLCKGWIUSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2003.10.011
Molecular Weight 666.405 g/mol
SMILES C1C[C@@](C(C[C@]1(O[Si](C([D])([D])[D])(C([D])([D])[D])C([D])([D])[D])[H])O[Si](C([D])([D])[D])(C([D])([D])[D])C([D])([D])[D])(C1CC[C@]2(C(C1CCO[Si](C([D])([D])[D])(C([D])([D])[D])C([D])([D])[D])CC[C@@]2(CCCCCCCC)[H])C)C
SPLASH splash10-0019-3396100000-80917a3980a26487f64b
Source of Spectrum A7-15-199-Fig. 4c
Wiley ID 1857457