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4-([tert-Butyldimethylsilyl)oxy]-2-(4'-Methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxadehyde
SpectraBase Compound ID 5B1KQhn2rjE
InChI InChI=1S/C21H29NO5SSi/c1-15-7-9-18(10-8-15)28(25,26)22-17-11-12-21(19(22)24,16(13-17)14-23)27-29(5,6)20(2,3)4/h7-12,14,16-17H,13H2,1-6H3/t16-,17-,21-/m0/s1
InChIKey UTQDEMYOOHOSNG-UHFFFAOYSA-N
Mol Weight 435.61 g/mol
Molecular Formula C21H29NO5SSi
Exact Mass 435.153571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7cW8wL3tOy2
Name 4-([tert-Butyldimethylsilyl)oxy]-2-(4'-Methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxadehyde
CAS Registry Number 141667-43-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NO5SSi
InChI InChI=1S/C21H29NO5SSi/c1-15-7-9-18(10-8-15)28(25,26)22-17-11-12-21(19(22)24,16(13-17)14-23)27-29(5,6)20(2,3)4/h7-12,14,16-17H,13H2,1-6H3/t16-,17-,21-/m0/s1
InChIKey UTQDEMYOOHOSNG-UHFFFAOYSA-N
Molecular Weight 435.610 g/mol
SMILES C1(N([C@@]2(C[C@]([C@@]1(O[Si](C(C)(C)C)(C)C)C=C2)(C=O)[H])[H])S(c1ccc(cc1)C)(=O)=O)=O
SPLASH splash10-05fu-7906000000-a640772db9203d452693
Source of Spectrum J-57-4093-2
Synonyms 4-{[tert-butyl(dimethyl)silyl]oxy}-2-[(4-methylphenyl)sulfonyl]-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
Wiley ID 1383221