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(1R,7aS)-2-(4-hydroxy-4-methyl-3-(trimethylsilyl)penta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one

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(1R,7aS)-2-(4-hydroxy-4-methyl-3-(trimethylsilyl)penta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID A2adfeuSzBo
InChI InChI=1S/C21H40N2O3Si2/c1-9-28(10-2,11-3)26-19-17-13-12-15-22(17)20(24)23(19)16-14-18(21(4,5)25)27(6,7)8/h16-17,19,25H,9-13,15H2,1-8H3/t14?,17-,19+/m0/s1
InChIKey MEXAGHAYHKSCDP-DEGSQWPTSA-N
Mol Weight 424.7 g/mol
Molecular Formula C21H40N2O3Si2
Exact Mass 424.257746 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BTkvjg2dc
Name (1R,7aS)-2-(4-hydroxy-4-methyl-3-(trimethylsilyl)penta-1,2-dienyl)-1-(triethylsilyloxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
Appearance Pale yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40N2O3Si2
InChI InChI=1S/C21H40N2O3Si2/c1-9-28(10-2,11-3)26-19-17-13-12-15-22(17)20(24)23(19)16-14-18(21(4,5)25)27(6,7)8/h16-17,19,25H,9-13,15H2,1-8H3/t14?,17-,19+/m0/s1
InChIKey MEXAGHAYHKSCDP-DEGSQWPTSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 424.732 g/mol
Optical Rotation [a]D = +14.1 (c = 1.02, acetone)
Reported Formula C21H40N2O3Si2
SMILES OC(C(=C=CN1[C@@]([C@]2(N(C1=O)CCC2)[H])(O[Si](CC)(CC)CC)[H])[Si](C)(C)C)(C)C
SPLASH splash10-0g4r-9826100000-5bcf6a3b12ce1566190f
Sample Comments dr > 95:5
Source of Spectrum ASC-362-4405-19b
Thin-Layer Chromatography Rf = 0.40 (silica gel, EtOAc/hexanes, 40:60)
Wiley ID 1855565