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5,8,10-Tetradecatrienoic acid, 12-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-14,14-bis(ethylthio)-, methyl ester, [S-(E,Z,Z)]-
SpectraBase Compound ID 1GjLUr7yPdZ
InChI InChI=1S/C35H50O3S2Si/c1-7-39-34(40-8-2)29-30(23-17-13-11-9-10-12-14-22-28-33(36)37-6)38-41(35(3,4)5,31-24-18-15-19-25-31)32-26-20-16-21-27-32/h10-13,15-21,23-27,30,34H,7-9,14,22,28-29H2,1-6H3/b12-10+,13-11-,23-17-/t30-/m1/s1
InChIKey TWHAZSBOMHDQCC-WKYFYMSMSA-N
Mol Weight 611.0 g/mol
Molecular Formula C35H50O3S2Si
Exact Mass 610.297064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRFrj3DMriA
Name 5,8,10-Tetradecatrienoic acid, 12-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-14,14-bis(ethylthio)-, methyl ester, [S-(E,Z,Z)]-
Alternate Name(s) Methyl (5E,8Z,10Z,12S)-12-{[tert-butyl(diphenyl)silyl]oxy}-14,14-bis(ethylsulfanyl)-5,8,10-tetradecatrienoate Methyl 12(S)-[(tert-butyldiphenylsilyl)oxy]-14,14-bis(ethylthio)-5(Z),8(Z),10(E)-tetradecatrienoate
CAS Registry Number 100818-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H50O3S2Si
InChI InChI=1S/C35H50O3S2Si/c1-7-39-34(40-8-2)29-30(23-17-13-11-9-10-12-14-22-28-33(36)37-6)38-41(35(3,4)5,31-24-18-15-19-25-31)32-26-20-16-21-27-32/h10-13,15-21,23-27,30,34H,7-9,14,22,28-29H2,1-6H3/b12-10+,13-11-,23-17-/t30-/m1/s1
InChIKey TWHAZSBOMHDQCC-WKYFYMSMSA-N
Molecular Weight 610.987 g/mol
SMILES [C@@](O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(CC(SCC)SCC)(\C=C/C=C\C\C=C\CCCC(=O)OC)[H]
SPLASH splash10-000i-0000910000-f1cbf56ff2032bfd4864
Source of Spectrum J-51-4800-10
Wiley ID 1410920