trans-Cinnamaldehyde

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Systematic / IUPAC Name: (2E)-3-Phenylacrylaldehyde

ID: Reference1762

Other Names: 3-Phenylacrylaldehyde;
2-Propenal, 3-phenyl-;
(E)-3-Phenylpropenal;
Benzylideneacetaldehyde;
β-Phenylcrolein ; more

Formula: C9H8O

Class: Endogenous Metabolites Excipients/Additives/Colorants Pesticides/Herbicides

Spectral Data

trans-Cinnamaldehyde 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 73
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/1/2014 3:52:43 PM
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Identificators

InChI InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+
InChI Key KJPRLNWUNMBNBZ-QPJJXVBHSA-N
Canonical SMILES C1=CC=C(C=C1)C=CC=O
CAS 104552
Splash
Other Names 3-Phenylacrylaldehyde;
2-Propenal, 3-phenyl-;
(E)-3-Phenylpropenal;
Benzylideneacetaldehyde;
β-Phenylcrolein;
3-Phenyl-2-propenaldehyde;
trans-3-Phenyl-2-propenal;
(E)-3-Phenylprop-2-enal;
3-Phenylprop-2-enal;
Acrolein, 3-phenyl-;
2-Propenal, 3-phenyl-, (2E)-;
β-Phenylacrolein;
trans-3-Phenylacrolein;
2-Propenal, 3-phenyl-, (E)-;
(E)-Cinnamaldehyde;
Cinnamal;
Cinnamaldehyde, trans-

In Other Databases

KEGG C00903
ChemSpider 553117
ChemIDPlus 000104552; 014371109
ChEBI CHEBI:16731
ChEMBL CHEMBL293492
Wikipedia Cinnamaldehyde
HMDb HMDB03441
PubChem 637511