Valerophenone

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Systematic / IUPAC Name: 1-Phenyl-1-pentanone

ID: Reference935

Other Names: 1-Phenylpentan-1-one;
Butyl phenyl ketone;
1-Pentanone, 1-phenyl-;
2-Propylacetophenone;
n-Butyl phenyl ketone ; more

Formula: C11H14O

Class: Endogenous Metabolites

Spectral Data

Valerophenone 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 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/1/2015 10:34:18 AM
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Identificators

InChI InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key XKGLSKVNOSHTAD-UHFFFAOYSA-N
Canonical SMILES CCCCC(=O)C1=CC=CC=C1
CAS 1009149
Splash
Other Names 1-Phenylpentan-1-one;
Butyl phenyl ketone;
1-Pentanone, 1-phenyl-;
2-Propylacetophenone;
n-Butyl phenyl ketone;
4-Methyl butyrophenone;
Pentanophenone

In Other Databases

ChemSpider 59482
Wikipedia Valerophenone
PubChem 66093
ChEMBL CHEMBL372105
ChemIDPlus 001009149
HMDb HMDB31208
ChEBI CHEBI:36812