| SpectraBase Compound ID | JuzMkZGqls7 |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-7-11-15(12-8-2)22-17(20)18(9-3,10-4)16(19)21-13-14(5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | WNYHXSKLBUERJL-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 | GAuAEu5rJh9 |
|---|---|
| Name | Diethylmalonic acid, hept-4-yl isobutyl 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/c1-7-11-15(12-8-2)22-17(20)18(9-3,10-4)16(19)21-13-14(5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey | WNYHXSKLBUERJL-UHFFFAOYSA-N |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC(CCC)CCC)=O)CC |