Phenylacetone

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Systematic / IUPAC Name: 1-Phenylpropan-2-one

ID: Reference5777

Other Names: 1-Phenyl-2-propanone;
1-Phenylacetone;
2-Propanone, 1-phenyl-;
3-Phenyl-2-propanone;
Benzyl methyl ketone ; more

Formula: C9H10O

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Phenylacetone 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/19/2016 6:49:51 AM
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Identificators

InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key QCCDLTOVEPVEJK-UHFFFAOYSA-N
Canonical SMILES CC(=O)CC1=CC=CC=C1
CAS 103797
Splash
Other Names 1-Phenyl-2-propanone;
1-Phenylacetone;
2-Propanone, 1-phenyl-;
3-Phenyl-2-propanone;
Benzyl methyl ketone;
Methyl benzyl ketone;
Phenyl-2-propanone;
Phenylmethyl methyl ketone;
Propanone, 1-phenyl-

In Other Databases

ChemSpider 21106366
PubChem 7678
ChEBI CHEBI:52052
Wikipedia Phenylacetone
KEGG C15512