| SpectraBase Compound ID | CVDebdYPqd4 |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-4-6-7-14-10(12)8-11(13)15-9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | ZZMRODMSIAZSET-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 | K6uuzdxLPKd |
|---|---|
| Name | Malonic acid, butyl 2-butyl 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/c1-4-6-7-14-10(12)8-11(13)15-9(3)5-2/h9H,4-8H2,1-3H3 |
| InChIKey | ZZMRODMSIAZSET-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | C(OC(CC)C)(CC(OCCCC)=O)=O |