| SpectraBase Spectrum ID |
LiT9D4cKeoU |
| Name |
p-Cymene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
99-87-6; 4939-75-7 |
| ChEBI ID |
28768 |
| Comments |
Saturated p-cymene - 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 H14 |
| IUPAC Name |
1-isopropyl-4-methyl-benzene; 1-methyl-4-propan-2-ylbenzene; 1-isopropyl-4-methylbenzene; 1-methyl-4-propan-2-yl-benzene |
| InChI |
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey |
HFPZCAJZSCWRBC-UHFFFAOYSA-N |
| KEGG Compound ID |
C06575 |
| KEGG Pathways |
PATH: ko00621 Biphenyl degradation |
| PubChem Compound ID |
7463 |
| SMILES |
CC1=CC=C(C=C1)C(C)C |
| Source File Reference |
bmse000503 |
