| SpectraBase Spectrum ID |
87IwT4twzk2 |
| Name |
Cuminaldehyde |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
122-03-2 |
| Comments |
Saturated cuminaldehyde - Sigma-Aldrich
Solvent CDCl3, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C10 H12 O |
| IUPAC Name |
4-isopropylbenzaldehyde; 4-propan-2-ylbenzaldehyde |
| InChI |
InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3 |
| InChIKey |
WTWBUQJHJGUZCY-UHFFFAOYSA-N |
| KEGG Compound ID |
C06577 |
| KEGG Pathways |
PATH: ko00621 Biphenyl degradation |
| PubChem Compound ID |
326 |
| SMILES |
CC(C)C1=CC=C(C=C1)C=O |
| Source File Reference |
bmse000508 |
