| SpectraBase Compound ID | FG78LlyXRnX |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h6-8H,4-5H2,1-3H3/b9-7+,10-6+ |
| InChIKey | DOQQQFDBYWJEPB-IDXDHNASSA-N |
| Mol Weight | 196.25 g/mol |
| Molecular Formula | C11H16O3 |
| Exact Mass | 196.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9BnmHaGUDLu |
|---|---|
| Name | (2E,6E)-3,7-Dimethyl-8-oxoocta-2,6-dienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.109944372 u |
| Formula | C11H16O3 |
| InChI | InChI=1S/C11H16O3/c1-9(7-11(13)14-3)5-4-6-10(2)8-12/h6-8H,4-5H2,1-3H3/b9-7+,10-6+ |
| InChIKey | DOQQQFDBYWJEPB-IDXDHNASSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(\C=C\(CC\C=C\(C=O)C)C)(=O)OC |