| SpectraBase Compound ID | 9fvtVG7AFSQ |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-6-14-9(12)7-10(13)15-8(2)11(3,4)5/h8H,6-7H2,1-5H3 |
| InChIKey | UCTIJVLVEFMFNK-UHFFFAOYSA-N |
| Mol Weight | 216.28 g/mol |
| Molecular Formula | C11H20O4 |
| Exact Mass | 216.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RNGaTeDqtY |
|---|---|
| Name | Malonic acid, 3,3-dimethylbut-2-yl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.136159120 u |
| Formula | C11H20O4 |
| InChI | InChI=1S/C11H20O4/c1-6-14-9(12)7-10(13)15-8(2)11(3,4)5/h8H,6-7H2,1-5H3 |
| InChIKey | UCTIJVLVEFMFNK-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(CC(OC(C(C)(C)C)C)=O)(OCC)=O |