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(1R,7aS)-2-((S)-1-Phenyl-4-(trimethylsilyl)but-3-yn-2-yl)-1-((triethylsilyl)oxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one

View entire compound with spectra: 1 MS (GC)

(1R,7aS)-2-((S)-1-Phenyl-4-(trimethylsilyl)but-3-yn-2-yl)-1-((triethylsilyl)oxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID 6qpyN8XzY4I
InChI InChI=1S/C25H40N2O2Si2/c1-7-31(8-2,9-3)29-24-23-16-13-18-26(23)25(28)27(24)22(17-19-30(4,5)6)20-21-14-11-10-12-15-21/h10-12,14-15,22-24H,7-9,13,16,18,20H2,1-6H3/t22-,23+,24-/m1/s1
InChIKey UDVZLWDFTWCMDG-TZRRMPRUSA-N
Mol Weight 456.8 g/mol
Molecular Formula C25H40N2O2Si2
Exact Mass 456.262832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HUYKx0ENCCb
Name (1R,7aS)-2-((S)-1-Phenyl-4-(trimethylsilyl)but-3-yn-2-yl)-1-((triethylsilyl)oxy)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 C25H40N2O2Si2
InChI InChI=1S/C25H40N2O2Si2/c1-7-31(8-2,9-3)29-24-23-16-13-18-26(23)25(28)27(24)22(17-19-30(4,5)6)20-21-14-11-10-12-15-21/h10-12,14-15,22-24H,7-9,13,16,18,20H2,1-6H3/t22-,23+,24-/m1/s1
InChIKey UDVZLWDFTWCMDG-TZRRMPRUSA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 456.777 g/mol
Optical Rotation [a]D = -69.6 (c = 1.03, acetone)
Reported Formula C25H40N2O2Si2
SMILES C1(=O)N([C@](C#C[Si](C)(C)C)(Cc2ccccc2)[H])[C@](O[Si](CC)(CC)CC)([C@]2([H])CCCN12)[H]
SPLASH splash10-0v0r-5954000000-a99b2b1e28edbb301b49
Sample Comments dr > 95:5
Source of Spectrum ASC-362-4403-11e
Thin-Layer Chromatography Rf = 0.70 (silica gel, EtOAc/toluene, 30:70)
Wiley ID 1855556