| SpectraBase Compound ID | CZ2NoIYUQWn |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-3-4-5-8-11(13)9-6-7-10-12(14)15-2/h3,7,10H,1,4-6,8-9H2,2H3/b10-7+ |
| InChIKey | SNXVUQRTTDHNSZ-JXMROGBWSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A4UnPeibdPL |
|---|---|
| Name | (2E)-6-Ketoundeca-2,10-dienoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-3-4-5-8-11(13)9-6-7-10-12(14)15-2/h3,7,10H,1,4-6,8-9H2,2H3/b10-7+ |
| InChIKey | SNXVUQRTTDHNSZ-JXMROGBWSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C(\C=C\CCC(=O)CCCC=C)(=O)OC |