| SpectraBase Spectrum ID |
1sEs1Tpitl3 |
| Name |
Phenylacetaldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
122-78-1 |
| ChEBI ID |
16424 |
| Comments |
Saturated phenylacetaldehyde - Aldrich 107395
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H8 O |
| IUPAC Name |
2-phenylacetaldehyde; 2-phenylethanal |
| InChI |
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChIKey |
DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| KEGG Compound ID |
C00601 |
| KEGG Pathways |
PATH: ko00360 Phenylalanine metabolism
PATH: ko00643 Styrene degradation |
| PubChem Compound ID |
998 |
| SMILES |
C1=CC=C(C=C1)CC=O |
| Source File Reference |
bmse000427 |
