| SpectraBase Compound ID | 2Zo4FP1CtDN |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-9(13)3-5-11(15)7-8-12(16)6-4-10(2)14/h3-6H,7-8H2,1-2H3/b5-3-,6-4- |
| InChIKey | FDBRYEJOCPSNBN-GLIMQPGKSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dTMNc17BrK |
|---|---|
| Name | (3Z,9Z)-3,9-Dodecadiene-2,5,8,11-tetraone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-9(13)3-5-11(15)7-8-12(16)6-4-10(2)14/h3-6H,7-8H2,1-2H3/b5-3-,6-4- |
| InChIKey | FDBRYEJOCPSNBN-GLIMQPGKSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | C(\C=C/C(=O)CCC(\C=C/C(=O)C)=O)(=O)C |