| SpectraBase Compound ID | 15TlZOiossr |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-5-13-8(11)6-9(12)14-7-10(2,3)4/h5-7H2,1-4H3 |
| InChIKey | XXEWJJLSVCMGJL-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cjmg87QG1fr |
|---|---|
| Name | Malonic acid, ethyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-5-13-8(11)6-9(12)14-7-10(2,3)4/h5-7H2,1-4H3 |
| InChIKey | XXEWJJLSVCMGJL-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | C(C(OCC)=O)C(OCC(C)(C)C)=O |