| SpectraBase Compound ID | 6oyJuovvmiR |
|---|---|
| InChI | InChI=1S/C12H18O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3,7-8,10-11H,1,4-6,9H2,2H3/b8-7+,11-10+ |
| InChIKey | OLNCJUGHZDSIAP-ZDVGBALWSA-N |
| Mol Weight | 194.27 g/mol |
| Molecular Formula | C12H18O2 |
| Exact Mass | 194.13068 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 | 87JQiKUFlMF |
|---|---|
| Name | 2,5,10-Undecatrienoic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.130679818 u |
| Formula | C12H18O2 |
| InChI | InChI=1S/C12H18O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3,7-8,10-11H,1,4-6,9H2,2H3/b8-7+,11-10+ |
| InChIKey | OLNCJUGHZDSIAP-ZDVGBALWSA-N |
| Molecular Weight | 194.274 g/mol |
| SMILES | C(\C=C\C(OC)=O)\C=C\CCCC=C |