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trans-[2-(2-isopropyl-5-methyl-cyclohexyl)-5-pentyl-3-trimethylsilyloxy-phenoxy]-trimethyl-silane
SpectraBase Compound ID KAkLfJcp2qi
InChI InChI=1S/C27H50O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h18-21,23-24H,11-17H2,1-10H3/t21-,23-,24+/m1/s1
InChIKey BGDLYOFAOGAREH-JRFVFWCSSA-N
Mol Weight 462.9 g/mol
Molecular Formula C27H50O2Si2
Exact Mass 462.334934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5NQHCiRjqRg
Name trans-[2-(2-isopropyl-5-methyl-cyclohexyl)-5-pentyl-3-trimethylsilyloxy-phenoxy]-trimethyl-silane
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Formula C27H50O2Si2
InChI InChI=1S/C27H50O2Si2/c1-11-12-13-14-22-18-25(28-30(5,6)7)27(26(19-22)29-31(8,9)10)24-17-21(4)15-16-23(24)20(2)3/h18-21,23-24H,11-17H2,1-10H3/t21-,23-,24+/m1/s1
InChIKey BGDLYOFAOGAREH-JRFVFWCSSA-N
Instrument Name Thermo Scientific DSQII
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.1c00567
Molecular Weight 462.865 g/mol
SMILES c1(c(c(cc(c1)CCCCC)O[Si](C)(C)C)[C@@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])O[Si](C)(C)C
SPLASH splash10-004i-1019300000-903aa360aa10acd1b73b
Sample Comments Trans isomer
Source of Spectrum G4-84-SM38-trans-THD-2TMS
Wiley ID 1884130