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rel-(3aR,8aS,E)-2-(1-Iodo-2-((triethylsilyl)oxy)ethylidene)-3a-methyloctahydroazulen-4(2H)-one
SpectraBase Compound ID CPJWGp9twN2
InChI InChI=1S/C19H33IO2Si/c1-5-23(6-2,7-3)22-14-17(20)15-12-16-10-8-9-11-18(21)19(16,4)13-15/h16H,5-14H2,1-4H3/b17-15+/t16-,19+/m0/s1
InChIKey DXHOBVSIGPDWLR-SBIMOLGMSA-N
Mol Weight 448.5 g/mol
Molecular Formula C19H33IO2Si
Exact Mass 448.129452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XDfIYthOVF
Name rel-(3aR,8aS,E)-2-(1-Iodo-2-((triethylsilyl)oxy)ethylidene)-3a-methyloctahydroazulen-4(2H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.129451836 u
Formula C19H33IO2Si
InChI InChI=1S/C19H33IO2Si/c1-5-23(6-2,7-3)22-14-17(20)15-12-16-10-8-9-11-18(21)19(16,4)13-15/h16H,5-14H2,1-4H3/b17-15+/t16-,19+/m0/s1
InChIKey DXHOBVSIGPDWLR-SBIMOLGMSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302751p
Molecular Weight 448.460 g/mol
Quality 136
Reported Formula C19H33IO2Si
SMILES C1CCC[C@@]2([C@](C1=O)(C\C(C2)=C/(CO[Si](CC)(CC)CC)I)C)[H]
SPLASH splash10-000i-2901100000-0b847fa22ceb7c2e2cf1
Source of Spectrum JOC-78-2782-6e (DOI: 10.1021/jo302751p)
Thin-Layer Chromatography 0.14 (pentanes/Et2O, 95:5)
Wiley ID 1912398