| SpectraBase Compound ID | HXQROms5PIo |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-8(2)7-9(3)5-6-10(11)12-4/h7H,1,5-6H2,2-4H3/b9-7+ |
| InChIKey | OJVPNLQLMNRTFV-VQHVLOKHSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CjLHLrX04dr |
|---|---|
| Name | 4,6-Heptadienoic acid, 4,6-dimethyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-8(2)7-9(3)5-6-10(11)12-4/h7H,1,5-6H2,2-4H3/b9-7+ |
| InChIKey | OJVPNLQLMNRTFV-VQHVLOKHSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(\C=C\(CCC(=O)OC)C)(=C)C |