α-Amylcinnamic aldehyde

enlarge

Systematic / IUPAC Name: (2Z)-2-Benzylideneheptanal

ID: Reference13941

Other Names: AA-4527

Formula: C14H18O

Class: Endogenous Metabolites

Spectral Data

α-Amylcinnamic aldehyde 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 1373
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/8/2026 10:35:32 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H18O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11-12H,2-3,5,10H2,1H3/b14-11-
InChI Key HMKKIXGYKWDQSV-KAMYIIQDSA-N
Canonical SMILES CCCCC/C(C=O)=C/c1ccccc1
CAS
Splash
Other Names AA-4527

In Other Databases

HMDb HMDB0031313; HMDB0031313
DrugBank DB14175
KEGG C12288
PubChem 1712058; 1712058
ChemSpider 1361549
ChEBI CHEBI:32318
ChEMBL CHEMBL1611291