| SpectraBase Compound ID | 1lfQDDNPEi4 |
|---|---|
| InChI | InChI=1S/C18H34O4/c1-6-9-10-11-12-13-14-21-16(19)18(7-2,8-3)17(20)22-15(4)5/h15H,6-14H2,1-5H3 |
| InChIKey | ARIDTRLHYITJNW-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 | IfQPqJt0hUp |
|---|---|
| Name | Diethylmalonic acid, isopropyl 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/c1-6-9-10-11-12-13-14-21-16(19)18(7-2,8-3)17(20)22-15(4)5/h15H,6-14H2,1-5H3 |
| InChIKey | ARIDTRLHYITJNW-UHFFFAOYSA-N |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OC(C)C)=O)CC |