| SpectraBase Compound ID | 4FhXITX6o4y |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-5-9(2)7-6-8-11(13)10(3)12(14)15-4/h7,10H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | CKEDSTVHRDSBQW-VQHVLOKHSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GD4di4gEOqQ |
|---|---|
| Name | 6-Nonenoic acid, 2,7-dimethyl-3-oxo-, methyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-5-9(2)7-6-8-11(13)10(3)12(14)15-4/h7,10H,5-6,8H2,1-4H3/b9-7+ |
| InChIKey | CKEDSTVHRDSBQW-VQHVLOKHSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(C(=O)OC)(C(=O)CC\C=C\(CC)C)C |