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(1R,7aS)-1-((Triethylsilyl)oxy)-2-((S)-1-(trimethylsilyl)hex-5-en-1-yn-3-yl)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(1R,7aS)-1-((Triethylsilyl)oxy)-2-((S)-1-(trimethylsilyl)hex-5-en-1-yn-3-yl)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID 5glGZpGxCUp
InChI InChI=1S/C21H38N2O2Si2/c1-8-13-18(15-17-26(5,6)7)23-20(25-27(9-2,10-3)11-4)19-14-12-16-22(19)21(23)24/h8,18-20H,1,9-14,16H2,2-7H3/t18-,19-,20+/m0/s1
InChIKey YXLUWWORPHTALB-SLFFLAALSA-N
Mol Weight 406.7 g/mol
Molecular Formula C21H38N2O2Si2
Exact Mass 406.247182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXiWXEXpA9O
Name (1R,7aS)-1-((Triethylsilyl)oxy)-2-((S)-1-(trimethylsilyl)hex-5-en-1-yn-3-yl)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 C21H38N2O2Si2
InChI InChI=1S/C21H38N2O2Si2/c1-8-13-18(15-17-26(5,6)7)23-20(25-27(9-2,10-3)11-4)19-14-12-16-22(19)21(23)24/h8,18-20H,1,9-14,16H2,2-7H3/t18-,19-,20+/m0/s1
InChIKey YXLUWWORPHTALB-SLFFLAALSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 406.717 g/mol
Optical Rotation [a]D = -54.2 (c = 1.08, acetone)
Reported Formula C21H38N2O2Si2
SMILES C1(=O)N([C@](C#C[Si](C)(C)C)(CC=C)[H])[C@](O[Si](CC)(CC)CC)([C@]2([H])CCCN12)[H]
SPLASH splash10-01e9-3529000000-77d1bbe82a6ae956d05f
Sample Comments dr > 95:5
Source of Spectrum ASC-362-4403-11d
Thin-Layer Chromatography Rf = 0.52 (silica gel, EtOAc/hexanes, 30:70)
Wiley ID 1855555