Systematic / IUPAC Name: 5-Phenyl-1,3-cyclohexanedione
ID: Reference3760
Other Names: 1,3-Dioxo-5-phenylcyclohexane
Formula: C12H12O2
5-Phenylcyclohexane-1,3-dione mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Q Exactive Orbitrap |
No. of Spectral Trees | 1 |
No. of Spectra | 119 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 2/9/2016 11:31:27 AM |
InChI | InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChI Key | UPPYKNLSSLIIAZ-UHFFFAOYSA-N |
Canonical SMILES | C1C(CC(=O)CC1=O)C2=CC=CC=C2 |
CAS | 493721 |
Splash | |
Other Names | 1,3-Dioxo-5-phenylcyclohexane |
PubChem | 568962 |
ChemSpider | 494648 |
ChEMBL | CHEMBL1448118 |