Cuminaldehyde

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Systematic / IUPAC Name: 4-Propan-2-ylbenzaldehyde

ID: Reference359

Other Names: 4-Isopropylbenzaldehyde;
Benzaldehyde, p-isopropyl-;
4-Isopropylbenzenecarboxylate;
p-Isopropylbenzenecarboxaldehyde;
p-Isopropyl-benzaldehyde ; more

Formula: C10H12O

Class: Endogenous Metabolites

Spectral Data

Cuminaldehyde 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 Elite; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 194
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 10/11/2016 10:17:10 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
InChI Key WTWBUQJHJGUZCY-UHFFFAOYSA-N
Canonical SMILES CC(C)C1=CC=C(C=C1)C=O
CAS 122032
Splash
Other Names 4-Isopropylbenzaldehyde;
Benzaldehyde, p-isopropyl-;
4-Isopropylbenzenecarboxylate;
p-Isopropylbenzenecarboxaldehyde;
p-Isopropyl-benzaldehyde;
Cumaldehyde;
Cuminic aldehyde;
Cuminal;
p-Cumic aldehyde;
Cumic aldehyde;
Cuminyl aldehyde;
p-Cuminic aldehyde

In Other Databases

Wikipedia Cuminaldehyde
ChEMBL CHEMBL161577
ChemSpider 21106431
HMDb HMDB02214
KEGG C06577
PubChem 326