5-Ethylcyclohexane-1,3-dione
2624
Reference
5-Ethylcyclohexane-1,3-dione Structure
Systematic / IUPAC Name: 5-Ethylcyclohexane-1,3-dione
ID: Reference2624
Other Names:
1,3-Cyclohexanedione, 5-ethyl-;
5-Ethyl-1,3-cyclohexanedione
Formula: C8H12O2
Spectral Data
5-Ethylcyclohexane-1,3-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 218 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 4/22/2015 3:01:15 PM |
Identificators
| InChI | InChI=1S/C8H12O2/c1-2-6-3-7(9)5-8(10)4-6/h6H,2-5H2,1H3 |
| InChI Key | VPRYSOJVBSTQKE-UHFFFAOYSA-N |
| Canonical SMILES | CCC1CC(=O)CC(=O)C1 |
| CAS | |
| Splash | |
| Other Names |
1,3-Cyclohexanedione, 5-ethyl-; 5-Ethyl-1,3-cyclohexanedione |