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(1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-iodo-4,7,11-trimethylpentadeca-1,5-dien-13-yn-3-yl -but-2-ynoate

View entire compound with spectra: 1 MS (GC)

(1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-iodo-4,7,11-trimethylpentadeca-1,5-dien-13-yn-3-yl -but-2-ynoate
SpectraBase Compound ID H7SRIOD1lu1
InChI InChI=1S/C28H45IO3Si/c1-11-13-15-22(3)20-25(32-33(9,10)28(6,7)8)21-23(4)16-17-24(5)26(18-19-29)31-27(30)14-12-2/h16-19,22-26H,15,20-21H2,1-10H3/b17-16+,19-18+/t22-,23+,24+,25-,26-/m0/s1
InChIKey IWDRHIGEIUNAKQ-YQSGHWEJSA-N
Mol Weight 584.7 g/mol
Molecular Formula C28H45IO3Si
Exact Mass 584.218267 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GMU5VpTBbgl
Name (1E,3R,4R,5E,7S,9S,11S)-9-((tert-Butyldimethylsilyl)oxy)-1-iodo-4,7,11-trimethylpentadeca-1,5-dien-13-yn-3-yl -but-2-ynoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45IO3Si
InChI InChI=1S/C28H45IO3Si/c1-11-13-15-22(3)20-25(32-33(9,10)28(6,7)8)21-23(4)16-17-24(5)26(18-19-29)31-27(30)14-12-2/h16-19,22-26H,15,20-21H2,1-10H3/b17-16+,19-18+/t22-,23+,24+,25-,26-/m0/s1
InChIKey IWDRHIGEIUNAKQ-YQSGHWEJSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201804988
Molecular Weight 584.654 g/mol
Optical Rotation [a]D20 = -1.0 (c = 1.3, CHCl3)
Reported Formula C28H45O3ISi
SMILES [C@](C[C@@](\C=C\[C@]([C@](\C=C\I)(OC(C#CC)=O)[H])(C)[H])(C)[H])(C[C@@](C)(CC#CC)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-05vo-6900000000-d7852cfbeeaa779f20e2
Source of Spectrum QE-25-SM10-18
Wiley ID 1846002