| SpectraBase Compound ID | 1hMNDAVfzrJ |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-7-8-9-10-11-12-13-21-15(19)18(5,6)16(20)22-14-17(2,3)4/h7-14H2,1-6H3 |
| InChIKey | XCGBELQNCMMJGF-UHFFFAOYSA-N |
| Mol Weight | 314.5 g/mol |
| Molecular Formula | C18H34O4 |
| Exact Mass | 314.24571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4OQxkUwKnKh |
|---|---|
| Name | Dimethylmalonic acid, neopentyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.245709571 u |
| Formula | C18H34O4 |
| InChI | InChI=1S/C18H34O4/c1-7-8-9-10-11-12-13-21-15(19)18(5,6)16(20)22-14-17(2,3)4/h7-14H2,1-6H3 |
| InChIKey | XCGBELQNCMMJGF-UHFFFAOYSA-N |
| SMILES | CCCCCCCCOC(C(C(=O)OCC(C)(C)C)(C)C)=O |