| SpectraBase Compound ID | 6DUv1YrPZvN |
|---|---|
| InChI | InChI=1S/C15H28O4/c1-6-8-9-10-11-12(3)19-14(17)15(4,5)13(16)18-7-2/h12H,6-11H2,1-5H3 |
| InChIKey | GUHSGWCHEXDLCU-UHFFFAOYSA-N |
| Mol Weight | 272.38 g/mol |
| Molecular Formula | C15H28O4 |
| Exact Mass | 272.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtCpwgQBbve |
|---|---|
| Name | Dimethylmalonic acid, ethyl 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.198759378 u |
| Formula | C15H28O4 |
| InChI | InChI=1S/C15H28O4/c1-6-8-9-10-11-12(3)19-14(17)15(4,5)13(16)18-7-2/h12H,6-11H2,1-5H3 |
| InChIKey | GUHSGWCHEXDLCU-UHFFFAOYSA-N |
| SMILES | C(CC(OC(=O)C(C)(C)C(OCC)=O)C)CCCC |