| SpectraBase Spectrum ID |
1R0Jzt1PKWl |
| Name |
4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene |
| CAS Registry Number |
141667-46-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H20N2O5S2 |
| InChI |
InChI=1S/C21H20N2O5S2/c1-14-3-7-17(8-4-14)29-21-12-11-16(13-19(21)23(25)26)22(20(21)24)30(27,28)18-9-5-15(2)6-10-18/h3-12,16,19H,13H2,1-2H3 |
| InChIKey |
QGLDFDDSZLQBNQ-UHFFFAOYSA-N |
| Molecular Weight |
444.520 g/mol |
| SMILES |
C12(C(N(S(c3ccc(cc3)C)(=O)=O)C(C=C1)CC2N(=O)=O)=O)Sc1ccc(cc1)C |
| SPLASH |
splash10-014l-7490000000-5dda880c710f4b2d85fe |
| Source of Spectrum |
J-57-4094-2 |
| Synonyms |
4-(4''-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene
4-(4''-Methylbenzenesulfanyl)-2-(4'-methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene
4-(4''-Methylbenzenesulfinyl)-2-(4'-methylbenzenesulfonyl)-5-exo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene |
| Wiley ID |
1385900 |
![4-(4"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene](/api/spectrum/1R0Jzt1PKWl/structure.png?h=300&w=458 "4-(4\"-Methylbenzenesulfenyl)-2-(4'-methylbenzenesulfonyl)-5-endo-nitro-3-oxo-2-azabicyclo[2.2.2]-7-octene")
