| SpectraBase Compound ID | AZkLah15YYs |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-8-9-10-11-12-14-21-16(19)18(4,5)17(20)22-15(3)13-7-2/h15H,6-14H2,1-5H3 |
| InChIKey | DBOYBHIWHFOIAB-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 | EZVEFPh3Xeg |
|---|---|
| Name | Dimethylmalonic acid, octyl 2-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/c1-6-8-9-10-11-12-14-21-16(19)18(4,5)17(20)22-15(3)13-7-2/h15H,6-14H2,1-5H3 |
| InChIKey | DBOYBHIWHFOIAB-UHFFFAOYSA-N |
| SMILES | CC(OC(=O)C(C)(C)C(OCCCCCCCC)=O)CCC |