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5-endo-[[(Butyldimethylsilyl)oxy]methyl]-4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene

View entire compound with spectra: 1 MS (GC)

5-endo-[[(Butyldimethylsilyl)oxy]methyl]-4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene
SpectraBase Compound ID 49V0HPzqGOL
InChI InChI=1S/C28H37NO4S2Si/c1-20-8-12-24(13-9-20)34-28-17-16-23(18-22(28)19-33-36(6,7)27(3,4)5)29(26(28)30)35(31,32)25-14-10-21(2)11-15-25/h8-17,22-23H,18-19H2,1-7H3/t22-,23-,28-/m0/s1
InChIKey SIOYKGPXFNWVES-LXWOLXCRSA-N
Mol Weight 543.8 g/mol
Molecular Formula C28H37NO4S2Si
Exact Mass 543.193328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bec1gCqMAt
Name 5-endo-[[(Butyldimethylsilyl)oxy]methyl]-4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene
Alternate Name(s) 5-endo-[[(Butyldimethylsilyl)oxy]methyl]-4-(4''-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene 8-({[tert-butyl(dimethyl)silyl]oxy}methyl)-4-[(4-methylphenyl)sulfanyl]-2-[(4-methylphenyl)sulfonyl]-2-azabicyclo[2.2.2]oct-5-en-3-one
CAS Registry Number 141667-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO4S2Si
InChI InChI=1S/C28H37NO4S2Si/c1-20-8-12-24(13-9-20)34-28-17-16-23(18-22(28)19-33-36(6,7)27(3,4)5)29(26(28)30)35(31,32)25-14-10-21(2)11-15-25/h8-17,22-23H,18-19H2,1-7H3/t22-,23-,28-/m0/s1
InChIKey SIOYKGPXFNWVES-LXWOLXCRSA-N
Molecular Weight 543.812 g/mol
SMILES c1(S(N2C([C@@]3(Sc4ccc(cc4)C)[C@@](C[C@@]2(C=C3)[H])(CO[Si](C(C)(C)C)(C)C)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-1012090000-59f5049c5a984e757200
Source of Spectrum J-57-4095-4
Wiley ID 1404945