| SpectraBase Spectrum ID |
CarHllPBSkP |
| Name |
p-Tolualdehyde |
| Source of Sample |
Sigma Solvent: 100 % CDCl3, Reference: 0.5 % TMS pH n/a, temperature 298K Data Source: Madison Metabolomics Consortium |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
104-87-0 |
| Copyright |
Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C8 H8 O |
| IUPAC Name |
4-methylbenzaldehyde |
| InChI |
InChI=1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 |
| InChIKey |
FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| KEGG Compound ID |
C06758 |
| KEGG Pathways |
PATH: ko00622 Toluene and xylene degradation |
| PubChem Compound ID |
7725 |
| SMILES |
CC1=CC=C(C=C1)C=O |
| Source File Reference |
bmse000527 |
