| SpectraBase Compound ID | DPqT7QObkiO |
|---|---|
| InChI | InChI=1S/C17H32O4/c1-5-7-9-10-11-12-14-21-16(19)17(3,4)15(18)20-13-8-6-2/h5-14H2,1-4H3 |
| InChIKey | KZXAQCDYRDCKCI-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C17H32O4 |
| Exact Mass | 300.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92RbKUOhR1I |
|---|---|
| Name | Dimethylmalonic acid, butyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.230059506 u |
| Formula | C17H32O4 |
| InChI | InChI=1S/C17H32O4/c1-5-7-9-10-11-12-14-21-16(19)17(3,4)15(18)20-13-8-6-2/h5-14H2,1-4H3 |
| InChIKey | KZXAQCDYRDCKCI-UHFFFAOYSA-N |
| SMILES | CCCCOC(C(C(=O)OCCCCCCCC)(C)C)=O |