Phenylacetaldehyde

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Systematic / IUPAC Name: 2-Phenylacetaldehyde

ID: Reference1388

Other Names: 2-Phenylethanal;
Phenylacetic aldehyde;
Acetaldehyde, phenyl-;
Oxophenylethane;
Benzylcarboxaldehyde ; more

Formula: C8H8O

Class: Industrial Chemicals

Spectral Data

Phenylacetaldehyde 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 175
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 12/4/2014 7:32:23 AM
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Identificators

InChI InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CC=O
CAS 122781
Splash
Other Names 2-Phenylethanal;
Phenylacetic aldehyde;
Acetaldehyde, phenyl-;
Oxophenylethane;
Benzylcarboxaldehyde;
α-Phenylacetaldehyde;
Hyacinthin;
α-Toluic aldehyde;
Benzenacetaldehyde

In Other Databases

KEGG C00601
ChEMBL CHEMBL1233464
ChEBI CHEBI:16424
HMDb HMDB06236
ChemSpider 13876539
PubChem 998
Wikipedia Phenylacetaldehyde