| SpectraBase Spectrum ID |
IirugBM5tpw |
| Name |
4-(4'-Methylbenzenesulfenyl)-5-exo-nitro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene |
| CAS Registry Number |
141553-87-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H13NO4S |
| InChI |
InChI=1S/C14H13NO4S/c1-9-2-4-11(5-3-9)20-14-7-6-10(19-13(14)16)8-12(14)15(17)18/h2-7,10,12H,8H2,1H3 |
| InChIKey |
YPZLSQGYJBBJKH-UHFFFAOYSA-N |
| Molecular Weight |
291.321 g/mol |
| SMILES |
C12(C(N(=O)=O)CC(C=C2)OC1=O)Sc1ccc(cc1)C |
| SPLASH |
splash10-0fk9-1960000000-8ac30a395b5359097d05 |
| Source of Spectrum |
J-57-4086-0 |
| Synonyms |
4-[(4-methylphenyl)sulfanyl]-8-nitro-2-oxabicyclo[2.2.2]oct-5-en-3-one |
| Wiley ID |
1294423 |
![4-(4'-Methylbenzenesulfenyl)-5-exo-nitro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene](/api/spectrum/IirugBM5tpw/structure.png?h=300&w=458 "4-(4'-Methylbenzenesulfenyl)-5-exo-nitro-3-oxo-2-oxabicyclo[2.2.2]oct-7-ene")
