Octanal

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Systematic / IUPAC Name: Octanal

ID: Reference13920

Other Names: 1-Octylaldehyde;
1-Octanal;
n-Octanal;
AA-4818

Formula: C8H16O

Class: Endogenous Metabolites Pesticides/Herbicides Personal Care Products/Cosmetics

Spectral Data

Octanal 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 90
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 10:27:03 AM
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Identificators

InChI InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
InChI Key NUJGJRNETVAIRJ-UHFFFAOYSA-N
Canonical SMILES CCCCCCCC=O
CAS
Splash
Other Names 1-Octylaldehyde;
1-Octanal;
n-Octanal;
AA-4818

In Other Databases

LipidsMAPs LMFA06000028
ChEBI CHEBI:17935
KEGG C01545
Wikipedia Octanal
ChemSpider 441
PubChem 454; 454
ChEMBL CHEMBL18407
HMDb HMDB0001140; HMDB0001140