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5,8,10-Tetradecatrienoic acid, 12-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-14-oxo-, methyl ester, [S-(E,Z,Z)]-
SpectraBase Compound ID DxI4ceGVnO0
InChI InChI=1S/C31H40O4Si/c1-31(2,3)36(28-20-14-11-15-21-28,29-22-16-12-17-23-29)35-27(25-26-32)19-13-9-7-5-6-8-10-18-24-30(33)34-4/h6-9,11-17,19-23,26-27H,5,10,18,24-25H2,1-4H3/b8-6+,9-7-,19-13-/t27-/m1/s1
InChIKey ZBMNQFCWLRDPSS-KUHDTIBZSA-N
Mol Weight 504.7 g/mol
Molecular Formula C31H40O4Si
Exact Mass 504.269586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7L99etminR6
Name 5,8,10-Tetradecatrienoic acid, 12-[[(1,1-dimethylethyl)diphenylsilyl]oxy]-14-oxo-, methyl ester, [S-(E,Z,Z)]-
Alternate Name(s) Methyl (5E,8Z,10Z,12S)-12-{[tert-butyl(diphenyl)silyl]oxy}-14-oxo-5,8,10-tetradecatrienoate Methyl 12(S)-[(tert-butyldiphenylsilyl)oxy]-14-oxo-5z),8(Z),10(E)-tetradecatrienoate
CAS Registry Number 100818-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40O4Si
InChI InChI=1S/C31H40O4Si/c1-31(2,3)36(28-20-14-11-15-21-28,29-22-16-12-17-23-29)35-27(25-26-32)19-13-9-7-5-6-8-10-18-24-30(33)34-4/h6-9,11-17,19-23,26-27H,5,10,18,24-25H2,1-4H3/b8-6+,9-7-,19-13-/t27-/m1/s1
InChIKey ZBMNQFCWLRDPSS-KUHDTIBZSA-N
Molecular Weight 504.742 g/mol
SMILES C([Si](O[C@](\C=C/C=C\C\C=C\CCCC(=O)OC)(CC=O)[H])(c1ccccc1)c1ccccc1)(C)(C)C
SPLASH splash10-0002-0950500000-2ba8f08d380960843f0e
Source of Spectrum J-51-4800-11
Wiley ID 1399633