| SpectraBase Compound ID | 7ChT2E8TnO |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-9(2)8-16-11(14)7-12(15)17-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | HVSCYIDCHWGOHX-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C13H24O4 |
| Exact Mass | 244.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GzOI6kl6pjA |
|---|---|
| Name | Malonic acid, 3,3-dimethylbut-2-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.167459249 u |
| Formula | C13H24O4 |
| InChI | InChI=1S/C13H24O4/c1-9(2)8-16-11(14)7-12(15)17-10(3)13(4,5)6/h9-10H,7-8H2,1-6H3 |
| InChIKey | HVSCYIDCHWGOHX-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | C(CC(OC(C(C)(C)C)C)=O)(OCC(C)C)=O |