| SpectraBase Compound ID | Bp76PMzLIfv |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-6-7-8-16-11(14)13(4,5)12(15)17-9-10(2)3/h10H,6-9H2,1-5H3 |
| InChIKey | MZTUUMXZESEQDF-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 | 469wsFP3EfY |
|---|---|
| Name | Dimethylmalonic acid, butyl 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/c1-6-7-8-16-11(14)13(4,5)12(15)17-9-10(2)3/h10H,6-9H2,1-5H3 |
| InChIKey | MZTUUMXZESEQDF-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CCCCOC(C(C(=O)OCC(C)C)(C)C)=O |