| SpectraBase Compound ID | Is2yk1EhZ8e |
|---|---|
| InChI | InChI=1S/C11H16O3/c1-4-11(3,14)7-5-6-9(2)8-10(12)13/h4-6,8,14H,1,7H2,2-3H3,(H,12,13)/b6-5+,9-8+ |
| InChIKey | OHVHPPWSMHOMPX-HHWLVVFRSA-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 | Gq06OiWVBTF |
|---|---|
| Name | 2,4,8-Nonatrienoic acid, 7-hydroxy-3,7-dimethyl-, (E,E)- |
| 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/c1-4-11(3,14)7-5-6-9(2)8-10(12)13/h4-6,8,14H,1,7H2,2-3H3,(H,12,13)/b6-5+,9-8+ |
| InChIKey | OHVHPPWSMHOMPX-HHWLVVFRSA-N |
| Molecular Weight | 196.246 g/mol |
| SMILES | C(\C=C\(\C=C\CC(C=C)(O)C)C)(=O)O |