| SpectraBase Spectrum ID |
3dAWnEc4ArQ |
| Name |
(1R)-(-)-Myrtenal |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
564-94-3; 57526-63-3; 23727-16-4 |
| Comments |
Saturated (1R)-(-)-myrtenal - 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 O |
| IUPAC Name |
7,7-dimethylbicyclo[3.1.1]hept-3-ene-4-carbaldehyde; 7,7-dimethyl-4-bicyclo[3.1.1]hept-3-enecarboxaldehyde |
| InChI |
InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,6,8-9H,4-5H2,1-2H3 |
| InChIKey |
KMRMUZKLFIEVAO-UHFFFAOYSA-N |
| KEGG Compound ID |
C11939 |
| KEGG Pathways |
PATH: ko00903 Limonene and pinene degradation |
| PubChem Compound ID |
61130 |
| SMILES |
CC1(C2CC=C(C1C2)C=O)C |
| Source File Reference |
bmse000534 |
