| SpectraBase Compound ID | Fml0qDj0GRF |
|---|---|
| InChI | InChI=1S/C11H18O4/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h9H,3,5-7H2,1-2,4H3 |
| InChIKey | XHPMGAMKZRNIIO-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 | 9hn52oICZtl |
|---|---|
| Name | 2-(2-Methylallyl)malonic acid diethyl 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/c1-5-14-10(12)9(7-8(3)4)11(13)15-6-2/h9H,3,5-7H2,1-2,4H3 |
| InChIKey | XHPMGAMKZRNIIO-UHFFFAOYSA-N |
| Molecular Weight | 214.261 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)OCC)CC(=C)C |