| SpectraBase Compound ID | GAHpi63HaZq |
|---|---|
| InChI | InChI=1S/C11H20O4/c1-5-8-11(4,9(12)14-6-2)10(13)15-7-3/h5-8H2,1-4H3 |
| InChIKey | DTHLCPJSRSNVLX-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 | Jcu7bzB9L0S |
|---|---|
| Name | Methylpropylmalonic acid, diethyl 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/c1-5-8-11(4,9(12)14-6-2)10(13)15-7-3/h5-8H2,1-4H3 |
| InChIKey | DTHLCPJSRSNVLX-UHFFFAOYSA-N |
| Molecular Weight | 216.277 g/mol |
| SMILES | CCOC(C(C(OCC)=O)(CCC)C)=O |