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5-Methyl-4-(4"-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde

View entire compound with spectra: 1 MS (GC)

5-Methyl-4-(4"-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde
SpectraBase Compound ID Izd2uugM80L
InChI InChI=1S/C23H23NO4S2/c1-16-4-8-19(9-5-16)29-23-13-12-18(14-22(23,3)15-25)24(21(23)26)30(27,28)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3/t18-,22-,23+/m1/s1
InChIKey RSNRWYFSGLQEEP-YSZBQJHXSA-N
Mol Weight 441.56 g/mol
Molecular Formula C23H23NO4S2
Exact Mass 441.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KdwNVaklXFW
Name 5-Methyl-4-(4"-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde
CAS Registry Number 141667-48-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23NO4S2
InChI InChI=1S/C23H23NO4S2/c1-16-4-8-19(9-5-16)29-23-13-12-18(14-22(23,3)15-25)24(21(23)26)30(27,28)20-10-6-17(2)7-11-20/h4-13,15,18H,14H2,1-3H3/t18-,22-,23+/m1/s1
InChIKey RSNRWYFSGLQEEP-YSZBQJHXSA-N
Molecular Weight 441.560 g/mol
SMILES c1(S(N2C([C@]3(Sc4ccc(cc4)C)[C@](C[C@]2(C=C3)[H])(C=O)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9120000000-2219a8822dcc019de3b1
Source of Spectrum J-57-4094-3
Synonyms 5-Methyl-4-(4''-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde 5-Methyl-4-[(4-methylphenyl)sulfanyl]-2-[(4-methylphenyl)sulfonyl]-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
Wiley ID 1385049