| SpectraBase Compound ID | 2zTmb1WM4HL |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-7-10-11-12-21-16(19)18(8-2,9-3)17(20)22-15(6)13-14(4)5/h14-15H,7-13H2,1-6H3 |
| InChIKey | TWUIWSHZXAPZBC-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 | EkrfBHotj2U |
|---|---|
| Name | Diethylmalonic acid, 4-methylpent-2-yl pentyl 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/c1-7-10-11-12-21-16(19)18(8-2,9-3)17(20)22-15(6)13-14(4)5/h14-15H,7-13H2,1-6H3 |
| InChIKey | TWUIWSHZXAPZBC-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCCCC)=O)(C(OC(CC(C)C)C)=O)CC |