| SpectraBase Compound ID | Ghq1Wi48jG6 |
|---|---|
| InChI | InChI=1S/C13H22O3/c1-10(2)6-5-7-11(3)8-9-16-13(15)12(4)14/h6,11H,5,7-9H2,1-4H3 |
| InChIKey | PLCACGAOUFEMJS-UHFFFAOYSA-N |
| Mol Weight | 226.32 g/mol |
| Molecular Formula | C13H22O3 |
| Exact Mass | 226.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7f3RFIsnA8W |
|---|---|
| Name | 2-Ketopropionic acid 3,7-dimethyloct-6-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.156894565 u |
| Formula | C13H22O3 |
| InChI | InChI=1S/C13H22O3/c1-10(2)6-5-7-11(3)8-9-16-13(15)12(4)14/h6,11H,5,7-9H2,1-4H3 |
| InChIKey | PLCACGAOUFEMJS-UHFFFAOYSA-N |
| Molecular Weight | 226.316 g/mol |
| SMILES | C(C(=O)C)(=O)OCCC(CCC=C(C)C)C |