| SpectraBase Spectrum ID |
GSYudwg1bXA |
| Name |
Terpinolene |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
69073-38-7; 586-62-9 |
| ChEBI ID |
9457 |
| Comments |
Saturated Terpinolene - 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 H16 |
| IUPAC Name |
1-methyl-4-propan-2-ylidenecyclohexene; 4-isopropylidene-1-methyl-cyclohexene; 4-isopropylidene-1-methylcyclohexene; 1-methyl-4-propan-2-ylidene-cyclohexene |
| InChI |
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3 |
| InChIKey |
MOYAFQVGZZPNRA-UHFFFAOYSA-N |
| KEGG Compound ID |
C06075 |
| PubChem Compound ID |
11463 |
| SMILES |
CC1=CCC(=C(C)C)CC1 |
| Source File Reference |
bmse000504 |
