| SpectraBase Compound ID | AwiE70m8wS2 |
|---|---|
| InChI | InChI=1S/C11H16O4/c1-4-5-6-7-8-9(10(12)14-2)11(13)15-3/h4-7,9H,8H2,1-3H3/b5-4+,7-6+ |
| InChIKey | KVEJYYJLVIKZTP-YTXTXJHMSA-N |
| Mol Weight | 212.24 g/mol |
| Molecular Formula | C11H16O4 |
| Exact Mass | 212.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ZJBCN7XpH1 |
|---|---|
| Name | 2-Hexa-2,4-dienylmalonic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.104858991 u |
| Formula | C11H16O4 |
| InChI | InChI=1S/C11H16O4/c1-4-5-6-7-8-9(10(12)14-2)11(13)15-3/h4-7,9H,8H2,1-3H3/b5-4+,7-6+ |
| InChIKey | KVEJYYJLVIKZTP-YTXTXJHMSA-N |
| Molecular Weight | 212.245 g/mol |
| SMILES | C(=O)(OC)C(C\C=C\C=C\C)C(OC)=O |