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4-[(TERT.-BUTYLDIMETHYLSILYL)-OXY]-2-(4'-METHYLBENZENESULFONYL)-5-ENDO-NITRO-3-OXO-2-AZABICYCLO-[2.2.2]-OCT-7-ENE
SpectraBase Compound ID Dh0DGprtY2H
InChI InChI=1S/C20H28N2O6SSi/c1-14-7-9-16(10-8-14)29(26,27)21-15-11-12-20(18(21)23,17(13-15)22(24)25)28-30(5,6)19(2,3)4/h7-12,15,17H,13H2,1-6H3/t15-,17-,20-/m0/s1
InChIKey SVMDWABIEMBIKF-KNBMTAEXSA-N
Mol Weight 452.6 g/mol
Molecular Formula C20H28N2O6SSi
Exact Mass 452.143734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Ycg6EriNv
Name 4-([tert-Butyldimethylsilyl)oxy]-2-(4'-Methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene
CAS Registry Number 141667-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O6SSi
InChI InChI=1S/C20H28N2O6SSi/c1-14-7-9-16(10-8-14)29(26,27)21-15-11-12-20(18(21)23,17(13-15)22(24)25)28-30(5,6)19(2,3)4/h7-12,15,17H,13H2,1-6H3/t15-,17-,20-/m0/s1
InChIKey SVMDWABIEMBIKF-KNBMTAEXSA-N
Molecular Weight 452.597 g/mol
SMILES [C@]12(C(N(S(c3ccc(cc3)C)(=O)=O)[C@@](C=C1)(C[C@@]2(N(=O)=O)[H])[H])=O)O[Si](C(C)(C)C)(C)C
SPLASH splash10-05fu-9646000000-303905394a3bfe15d5e0
Source of Spectrum J-57-4093-2
Synonyms 4-{[tert-butyl(dimethyl)silyl]oxy}-2-[(4-methylphenyl)sulfonyl]-8-nitro-2-azabicyclo[2.2.2]oct-5-en-3-one
Wiley ID 1388166