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4,8-Tridecadien-1-ol, 12-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5,9-dimethyl-, 4-methylbenzenesulfonate, (E,E)-(.+-.)-
SpectraBase Compound ID LVCECN7W44d
InChI InChI=1S/C28H48O4SSi/c1-23(13-10-11-22-31-33(29,30)27-20-17-25(3)18-21-27)14-12-15-24(2)16-19-26(4)32-34(8,9)28(5,6)7/h13,15,17-18,20-21,26H,10-12,14,16,19,22H2,1-9H3/b23-13+,24-15+
InChIKey MCAHKOSDQCVBCY-CLKIXKSOSA-N
Mol Weight 508.8 g/mol
Molecular Formula C28H48O4SSi
Exact Mass 508.304258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CIKpR4gK3YJ
Name 4,8-Tridecadien-1-ol, 12-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5,9-dimethyl-, 4-methylbenzenesulfonate, (E,E)-(.+-.)-
CAS Registry Number 116315-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H48O4SSi
InChI InChI=1S/C28H48O4SSi/c1-23(13-10-11-22-31-33(29,30)27-20-17-25(3)18-21-27)14-12-15-24(2)16-19-26(4)32-34(8,9)28(5,6)7/h13,15,17-18,20-21,26H,10-12,14,16,19,22H2,1-9H3/b23-13+,24-15+
InChIKey MCAHKOSDQCVBCY-CLKIXKSOSA-N
Molecular Weight 508.833 g/mol
SMILES c1(S(=O)(=O)OCCC\C=C\(CC\C=C\(CCC(O[Si](C(C)(C)C)(C)C)C)C)C)ccc(cc1)C
SPLASH splash10-0a6r-4790000000-152457eb426dd6944720
Source of Spectrum KC-1988-58-0
Synonyms (4E,8E)-12-{[tert-butyl(dimethyl)silyl]oxy}-5,9-dimethyl-4,8-tridecadienyl 4-methylbenzenesulfonate (4E,8E,12RS)-12-dimethyl-t-butylsiloxy-5,9-dimethyltrideca-4,8-dienyl toluene-p-sulphonate
Wiley ID 1400183