| SpectraBase Compound ID | C2piDrevcYb |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-12(8-4-3-7-11-14)9-5-6-10-13(15)16-2/h3,7,9,11H,4-6,8,10H2,1-2H3/b7-3+,12-9+ |
| InChIKey | IYALUEOGUHTFIZ-FFEBFSGFSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 54Xvd2GoGoX |
|---|---|
| Name | 6-Methyl-11-oxo-undeca-5,9-dienoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-12(8-4-3-7-11-14)9-5-6-10-13(15)16-2/h3,7,9,11H,4-6,8,10H2,1-2H3/b7-3+,12-9+ |
| InChIKey | IYALUEOGUHTFIZ-FFEBFSGFSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C(=O)(OC)CCC\C=C\(CC\C=C\C=O)C |