| SpectraBase Compound ID | IR7qC3TPlFF |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,10-11H,3-6,9,12H2,1-2H3/b8-7+,11-10+ |
| InChIKey | QOLQXDRXMBPSFD-ZDVGBALWSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 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 | 7LWNQzuiT13 |
|---|---|
| Name | 3,6-Dodecadienoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,10-11H,3-6,9,12H2,1-2H3/b8-7+,11-10+ |
| InChIKey | QOLQXDRXMBPSFD-ZDVGBALWSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(\C=C\C\C=C\CCCCC)C(OC)=O |