For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 2 MS (GC)

4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]-7-octene-5-endo-carboxaldehyde
SpectraBase Compound ID 8adXqftYXEz
InChI InChI=1S/C22H21NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,14,17-18H,13H2,1-2H3/t17-,18-,22-/m0/s1
InChIKey XAQGHRWHENPWEV-UHFFFAOYSA-N
Mol Weight 427.53 g/mol
Molecular Formula C22H21NO4S2
Exact Mass 427.091201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FDD5HVOpEkA
Name 5-endo-4-(4''-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
CAS Registry Number 141667-40-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4S2
InChI InChI=1S/C22H21NO4S2/c1-15-3-7-19(8-4-15)28-22-12-11-18(13-17(22)14-24)23(21(22)25)29(26,27)20-9-5-16(2)6-10-20/h3-12,14,17-18H,13H2,1-2H3/t17-,18-,22-/m0/s1
InChIKey XAQGHRWHENPWEV-UHFFFAOYSA-N
Molecular Weight 427.533 g/mol
SMILES c1(S(N2C([C@@]3(Sc4ccc(cc4)C)[C@@](C[C@@]2(C=C3)[H])(C=O)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0006-9100000000-ffc2803f4265f9113154
Source of Spectrum J-57-4095-epi-2dh
Synonyms 5-endo-4-(4''-methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-3-oxo-2-azabicyclo[2.2.2]oct-7-ene-5-carbaldehyde
Wiley ID 1374368