| SpectraBase Spectrum ID |
AGUPzDsvONJ |
| Name |
exo-3,3-Diacetyl-2-thiabicyclo[2.2.2]oct-5-en-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H14O3S |
| InChI |
InChI=1S/C11H14O3S/c1-7(12)11(8(2)13)9-3-5-10(6-4-9)15(11)14/h3,5,9-10H,4,6H2,1-2H3 |
| InChIKey |
ZDEJMFDKXOSHSF-UHFFFAOYSA-N |
| Molecular Weight |
226.290 g/mol |
| SMILES |
C12S(C(C(C=C2)CC1)(C(=O)C)C(=O)C)=O |
| SPLASH |
splash10-00di-0900000000-595de2b70f6773998fc2 |
| Source of Spectrum |
F-52-12243-42 |
| Synonyms |
endo-3,3-Diacetyl-2-thiabicyclo[2.2.2]oct-5-en-2-one
1-(3-acetyl-2-oxido-2-thiabicyclo[2.2.2]oct-5-en-3-yl)ethanone |
| Wiley ID |
798779 |
![exo-3,3-Diacetyl-2-thiabicyclo[2.2.2]oct-5-en-2-one](/api/spectrum/AGUPzDsvONJ/structure.png?h=300&w=458 "exo-3,3-Diacetyl-2-thiabicyclo[2.2.2]oct-5-en-2-one")
