| SpectraBase Spectrum ID |
EMOeRMIa40k |
| Name |
pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-2,6-dione |
| Alternate Name(s) |
pentacyclo[5.5.0.0(2,6).0(3,10).0(5,9)]dodecane-8,12-dione |
| CAS Registry Number |
118172-05-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12O2 |
| InChI |
InChI=1S/C12H12O2/c13-6-2-4-3-1-5-7(4)12(14)11-9(5)8(3)10(6)11/h3-5,7-11H,1-2H2 |
| InChIKey |
WHQMJAPMRAQQEW-UHFFFAOYSA-N |
| Molecular Weight |
188.226 g/mol |
| SMILES |
C12C(C3C4C(CC2C2C4C3C1C2)=O)=O |
| SPLASH |
splash10-000i-0900000000-92a4a0ba9d0757d06e7e |
| Source of Spectrum |
J-54-192-17 |
| Wiley ID |
1184921 |
![pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-2,6-dione](/api/spectrum/EMOeRMIa40k/structure.png?h=300&w=458 "pentacyclo[5.5.0.0(4,11).0(5,9).0(8,12)]dodecane-2,6-dione")
