| SpectraBase Compound ID | KPvpIXrMfdI |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-5-7-9-11-13-15-22-17(20)18(3,4)16(19)21-14-12-10-8-6-2/h5-15H2,1-4H3 |
| InChIKey | MGQMQOUJLSQJTI-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 | BqfyFGbbyC6 |
|---|---|
| Name | Dimethylmalonic acid, heptyl hexyl 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/c1-5-7-9-11-13-15-22-17(20)18(3,4)16(19)21-14-12-10-8-6-2/h5-15H2,1-4H3 |
| InChIKey | MGQMQOUJLSQJTI-UHFFFAOYSA-N |
| SMILES | CCCCCCCOC(C(C(=O)OCCCCCC)(C)C)=O |