Acetophenone

enlarge

Systematic / IUPAC Name: 1-Phenylethanone

ID: Reference2744

Other Names: Acetofenon;
Acetophenon;
Acetylbenzol;
Dymex;
Hypnone ; more

Formula: C8H8O

Class: Endogenous Metabolites Excipients/Additives/Colorants Personal Care Products/Cosmetics Therapeutics/Prescription Drugs Extractables/Leachables Textile Chemicals/Auxiliary/Dyes Natural Products/Medicines Industrial Chemicals

Spectral Data

Acetophenone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 98
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/28/2015 11:28:56 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key KWOLFJPFCHCOCG-UHFFFAOYSA-N
Canonical SMILES CC(=O)C1=CC=CC=C1
CAS 98862
Splash
Other Names Acetofenon;
Acetophenon;
Acetylbenzol;
Dymex;
Hypnone;
1-Phenyl-1-ethanone;
1-Phenyl-ethanone;
Acetylbenzene;
Benzene, acetyl-;
Benzoylmethide;
Ethanone, 1-phenyl-;
Ketone, methyl phenyl-;
Methylphenylketone;
Phenylethanone

In Other Databases

ChemIDPlus 000098862
ChEBI CHEBI:27632
Wikipedia Acetophenone
HMDb HMDB33910
DrugBank DB04619
PubChem 7410
KEGG C07113
ChemSpider 7132