| SpectraBase Compound ID | JhWa9XYzapF |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-27(30)29(7-2,8-3)28(31)33-25-26(4)5/h26H,6-25H2,1-5H3 |
| InChIKey | QHHMAXVDHPFMNR-UHFFFAOYSA-N |
| Mol Weight | 468.8 g/mol |
| Molecular Formula | C29H56O4 |
| Exact Mass | 468.41786 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5K6eneHuVVq |
|---|---|
| Name | Diethylmalonic acid, isobutyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.417860279 u |
| Formula | C29H56O4 |
| InChI | InChI=1S/C29H56O4/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-32-27(30)29(7-2,8-3)28(31)33-25-26(4)5/h26H,6-25H2,1-5H3 |
| InChIKey | QHHMAXVDHPFMNR-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCCCCCCCC)=O)(C(OCC(C)C)=O)CC |