| SpectraBase Compound ID | 4Gq8YV3d6P6 |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-8(2)6-5-7-9(10(12)14-3)11(13)15-4/h9H,1,5-7H2,2-4H3 |
| InChIKey | CQRAPQCUNYRNPE-UHFFFAOYSA-N |
| Mol Weight | 214.26 g/mol |
| Molecular Formula | C11H18O4 |
| Exact Mass | 214.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFpc3En7eKx |
|---|---|
| Name | 2-(4-Methylpent-4-enyl)malonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.120509056 u |
| Formula | C11H18O4 |
| InChI | InChI=1S/C11H18O4/c1-8(2)6-5-7-9(10(12)14-3)11(13)15-4/h9H,1,5-7H2,2-4H3 |
| InChIKey | CQRAPQCUNYRNPE-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C(=O)OC)(C(=O)OC)CCCC(=C)C |