5-Phenylcyclohexane-1,3-dione

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Systematic / IUPAC Name: 5-Phenyl-1,3-cyclohexanedione

ID: Reference3760

Other Names: 1,3-Dioxo-5-phenylcyclohexane

Formula: C12H12O2

Spectral Data

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.

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Available MS Data

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
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Identificators

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
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Other Names 1,3-Dioxo-5-phenylcyclohexane

In Other Databases

PubChem 568962
ChemSpider 494648
ChEMBL CHEMBL1448118