2-Octanone

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Systematic / IUPAC Name: Octan-2-one

ID: Reference13903

Other Names: AA-4683

Formula: C8H16O

Class: Endogenous Metabolites

Spectral Data

2-Octanone 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 Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 80
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/11/2026 9:26:21 AM
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Identificators

InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
InChI Key ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
Canonical SMILES CCCCCCC(C)=O
CAS
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Other Names AA-4683

In Other Databases

HMDb HMDB0031294; HMDB31294
PubChem 8093; 8093
ChemSpider 7802
ChEMBL CHEMBL18549
ChEBI CHEBI:87434
LipidsMAPs LMFA12000054