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(4R,RS)-N-(tert-Butanesulfinyl)-8-[(tetrahydro-2H-pyran-2-yl)-oxy]-1-(trimethylsilyl)oct-1-yn-4-amine
SpectraBase Compound ID JDC0utIjSBC
InChI InChI=1S/C20H39NO3SSi/c1-20(2,3)25(22)21-18(13-11-17-26(4,5)6)12-7-9-15-23-19-14-8-10-16-24-19/h18-19,21H,7-10,12-16H2,1-6H3/t18-,19?,25?/m1/s1
InChIKey IWIBLXDTQXEMDC-VLNJMECTSA-N
Mol Weight 401.7 g/mol
Molecular Formula C20H39NO3SSi
Exact Mass 401.241992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I3Qyh7qgc0c
Name (4R,RS)-N-(tert-Butanesulfinyl)-8-[(tetrahydro-2H-pyran-2-yl)-oxy]-1-(trimethylsilyl)oct-1-yn-4-amine
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H39NO3SSi
InChI InChI=1S/C20H39NO3SSi/c1-20(2,3)25(22)21-18(13-11-17-26(4,5)6)12-7-9-15-23-19-14-8-10-16-24-19/h18-19,21H,7-10,12-16H2,1-6H3/t18-,19?,25?/m1/s1
InChIKey IWIBLXDTQXEMDC-VLNJMECTSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201901590
Molecular Weight 401.681 g/mol
Reported Formula C20H39NO3SSi
SMILES N([C@](CCCCOC1CCCCO1)(CC#C[Si](C)(C)C)[H])[S@](=O)C(C)(C)C
SPLASH splash10-000i-9020000000-168d669fd1e0f52010f5
Sample Comments Diastereomeric mixture (1:1)
Source of Spectrum U1-2020-119-2e
Thin-Layer Chromatography Rf = 0.43 (hexane/EtOAc, 1:1)
Wiley ID 1856925