Phenylacetaldehyde
Phenylacetaldehyde synonyms
alpha-Toluic aldehyde; Phenylacetic aldehyde; Acetaldehyde, phenyl- (8CI); 1-Oxo-2-phenylethane; PHENYLACETALDEHYDE; Benzeneacetaldehyde; alpha-Tolyaldehyde; Oxophenylethane; Phenylacetaldehyde (natural); Hyacinthin; benzeneacetaldehyde
Graphical representations:
View large 3D structure
Molecular Formula: C8H8O
Natural Isotopic Abundance Mass: 120.14852
Mono-Isotopic Molecular Masses:
- C12N14: 120.0575148789
- C13N14: 128.0843535813
- C12N15: 120.0575148789
- C13N15: 128.0843535813
InChI string: InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
PubChem Compound (CID): 998CAS Registry number: 122-78-1
Sigma-Aldrich: 107395_ALDRICH
ChEBI: CHEBI:16424
ChemIDplus: 000122781
ChemSpider: 13881437
EINECS: 204-574-5
NMRShiftDB: 10024902
EPA DSSTox: 1483
ZINC: ZINC00895323
KEGG Compound ID: C00601
ChemDB: 3969194
NIST Chemistry WebBook: 1079526415
PDB Compound ID: HY1 FER
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)