| SpectraBase Compound ID | D1FpcbTavvB |
|---|---|
| InChI | InChI=1S/C13H24O4/c1-5-7-8-9-10-17-12(15)13(3,4)11(14)16-6-2/h5-10H2,1-4H3 |
| InChIKey | BPWULCWZNSCJSD-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 | LRV3BVU8Z3t |
|---|---|
| Name | Dimethylmalonic acid, ethyl hexyl 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/c1-5-7-8-9-10-17-12(15)13(3,4)11(14)16-6-2/h5-10H2,1-4H3 |
| InChIKey | BPWULCWZNSCJSD-UHFFFAOYSA-N |
| Molecular Weight | 244.331 g/mol |
| SMILES | CCCCCCOC(=O)C(C)(C)C(OCC)=O |