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5-endo-[[(Butyldimethylsilyl)oxy]methyl]-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene
SpectraBase Compound ID 2hUMsTQW3yr
InChI InChI=1S/C21H31NO4SSi/c1-5-6-13-28(3,4)26-15-17-14-18-9-12-20(17)21(23)22(18)27(24,25)19-10-7-16(2)8-11-19/h7-12,17-18,20H,5-6,13-15H2,1-4H3
InChIKey HJCWZADOPBEJLA-UHFFFAOYSA-N
Mol Weight 421.63 g/mol
Molecular Formula C21H31NO4SSi
Exact Mass 421.174306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BBGuBaGtJF
Name 5-endo-[[(Butyldimethylsilyl)oxy]methyl]-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene
CAS Registry Number 141667-51-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO4SSi
InChI InChI=1S/C21H31NO4SSi/c1-5-6-13-28(3,4)26-15-17-14-18-9-12-20(17)21(23)22(18)27(24,25)19-10-7-16(2)8-11-19/h7-12,17-18,20H,5-6,13-15H2,1-4H3
InChIKey HJCWZADOPBEJLA-UHFFFAOYSA-N
Molecular Weight 421.627 g/mol
SMILES c1(S(N2C(C3C(CC2C=C3)CO[Si](CCCC)(C)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0fr6-6901000000-75d1d928d3679502d914
Source of Spectrum J-57-4095-5
Synonyms 8-({[butyl(dimethyl)silyl]oxy}methyl)-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]oct-5-en-3-one
Wiley ID 1378292