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tert-Butyl(((5S,7S,9S,10E,12R,13R,14E)-15-iodo-13-((4-methoxybenzyl)oxy)-5,9,12-trimethylpentadeca-10,14- dien-2-yn-7-yl)oxy)dimethylsilane

View entire compound with spectra: 1 MS (GC)

tert-Butyl(((5S,7S,9S,10E,12R,13R,14E)-15-iodo-13-((4-methoxybenzyl)oxy)-5,9,12-trimethylpentadeca-10,14- dien-2-yn-7-yl)oxy)dimethylsilane
SpectraBase Compound ID 8DilNCoybip
InChI InChI=1S/C32H51IO3Si/c1-11-12-13-25(2)22-30(36-37(9,10)32(5,6)7)23-26(3)14-15-27(4)31(20-21-33)35-24-28-16-18-29(34-8)19-17-28/h14-21,25-27,30-31H,13,22-24H2,1-10H3/b15-14+,21-20+/t25-,26+,27+,30-,31-/m0/s1
InChIKey YJBYJDQJLOGODH-OSFYBYPASA-N
Mol Weight 638.7 g/mol
Molecular Formula C32H51IO3Si
Exact Mass 638.265217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8cVU1ZYbFf4
Name tert-Butyl(((5S,7S,9S,10E,12R,13R,14E)-15-iodo-13-((4-methoxybenzyl)oxy)-5,9,12-trimethylpentadeca-10,14- dien-2-yn-7-yl)oxy)dimethylsilane
Appearance colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H51IO3Si
InChI InChI=1S/C32H51IO3Si/c1-11-12-13-25(2)22-30(36-37(9,10)32(5,6)7)23-26(3)14-15-27(4)31(20-21-33)35-24-28-16-18-29(34-8)19-17-28/h14-21,25-27,30-31H,13,22-24H2,1-10H3/b15-14+,21-20+/t25-,26+,27+,30-,31-/m0/s1
InChIKey YJBYJDQJLOGODH-OSFYBYPASA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 638.746 g/mol
Optical Rotation [a]D20 = -35.4 (c = 1.4, CHCl3)
Reported Formula C32H51O3ISi
SMILES [C@](C[C@@](\C=C\[C@]([C@](\C=C\I)(OCc1ccc(cc1)OC)[H])(C)[H])(C)[H])(C[C@@](C)(CC#CC)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-00di-1900000000-e5f27853834171a42f2e
Sample Comments Mixture of E/Z 15:1
Source of Spectrum QE-25-SM9-17
Wiley ID 1846001