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(1R,7aS)-2-((S)-1-(Deutero)-3-(trimethylsilyl)prop-2-yn-1-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-(Deutero)-3-(trimethylsilyl)prop-2-yn-1-yl)-1-((triethylsilyl)oxy)tetrahydro-1H-pyrrolo[1,2-c]imidazol-3(2H)-one
SpectraBase Compound ID Evubrhdcxbi
InChI InChI=1S/C18H34N2O2Si2/c1-7-24(8-2,9-3)22-17-16-12-10-13-19(16)18(21)20(17)14-11-15-23(4,5)6/h16-17H,7-10,12-14H2,1-6H3/t16-,17+/m0/s1/i14D/t14-,16-,17+
InChIKey WVIFFQAJLQMODK-NVAHIYKISA-N
Mol Weight 367.7 g/mol
Molecular Formula C18H33DN2O2Si2
Exact Mass 367.222158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TJqgrMcMc4
Name (1R,7aS)-2-((S)-1-(Deutero)-3-(trimethylsilyl)prop-2-yn-1-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 C18H33DN2O2Si2
InChI InChI=1S/C18H34N2O2Si2/c1-7-24(8-2,9-3)22-17-16-12-10-13-19(16)18(21)20(17)14-11-15-23(4,5)6/h16-17H,7-10,12-14H2,1-6H3/t16-,17+/m0/s1/i14D/t14-,16-,17+
InChIKey WVIFFQAJLQMODK-NVAHIYKISA-N
Instrument Name Micromass GCT
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000574
Molecular Weight 367.658 g/mol
Optical Rotation [a]D = -113.6 (c = 1.02, acetone)
Reported Formula C18H33DN2O2Si2
SMILES C1(N2[C@]([C@](N1[C@](C#C[Si](C)(C)C)([D])[H])(O[Si](CC)(CC)CC)[H])(CCC2)[H])=O
SPLASH splash10-0fb9-9800000000-2603d992de0a8fdd8031
Sample Comments dr > 95:5
Source of Spectrum ASC-362-4402-11a
Thin-Layer Chromatography Rf = 0.43 (silica gel, EtOAc/hexanes, 30:70)
Wiley ID 1855553