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(3R,4R,E)-1-(Dimethyl(phenyl)silyl)-4-methylhept-1-en-5-yn-3-yl-(5S,7S,9S,E)-7-((tert-butyldimethylsilyl)oxy)-5,9-dimethyldodec-2-en-10-ynoate

View entire compound with spectra: 1 MS (GC)

(3R,4R,E)-1-(Dimethyl(phenyl)silyl)-4-methylhept-1-en-5-yn-3-yl-(5S,7S,9S,E)-7-((tert-butyldimethylsilyl)oxy)-5,9-dimethyldodec-2-en-10-ynoate
SpectraBase Compound ID DMpTsiaBwHX
InChI InChI=1S/C36H56O3Si2/c1-13-19-29(3)27-32(39-41(11,12)36(6,7)8)28-30(4)21-18-24-35(37)38-34(31(5)20-14-2)25-26-40(9,10)33-22-16-15-17-23-33/h15-18,22-26,29-32,34H,21,27-28H2,1-12H3/b24-18+,26-25+/t29-,30+,31-,32-,34+/m1/s1
InChIKey UHHDWDXPDSOWDX-ZLUUIPQWSA-N
Mol Weight 593.0 g/mol
Molecular Formula C36H56O3Si2
Exact Mass 592.376799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZRicFeahUL
Name (3R,4R,E)-1-(Dimethyl(phenyl)silyl)-4-methylhept-1-en-5-yn-3-yl-(5S,7S,9S,E)-7-((tert-butyldimethylsilyl)oxy)-5,9-dimethyldodec-2-en-10-ynoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H56O3Si2
InChI InChI=1S/C36H56O3Si2/c1-13-19-29(3)27-32(39-41(11,12)36(6,7)8)28-30(4)21-18-24-35(37)38-34(31(5)20-14-2)25-26-40(9,10)33-22-16-15-17-23-33/h15-18,22-26,29-32,34H,21,27-28H2,1-12H3/b24-18+,26-25+/t29-,30+,31-,32-,34+/m1/s1
InChIKey UHHDWDXPDSOWDX-ZLUUIPQWSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804987
Molecular Weight 593.011 g/mol
Optical Rotation [a]D20= +16.5 (c = 0.15, CHCl3)
Reported Formula C36H56O3Si2
SMILES C(\C=C\C[C@@](C[C@@](C[C@@](C#CC)(C)[H])(O[Si](C(C)(C)C)(C)C)[H])(C)[H])(O[C@@](\C=C\[Si](c1ccccc1)(C)C)([C@](C)(C#CC)[H])[H])=O
SPLASH splash10-009b-7920000000-3e33272f6448abec9be6
Source of Spectrum QE-25-SM15-E-41
Wiley ID 1845987