| SpectraBase Compound ID | BfJwCbYsPGw |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-5-9-11-13-15-17-19-21-23-25-32-27(30)29(7-3,8-4)28(31)33-26-24-22-20-18-16-14-12-10-6-2/h5-26H2,1-4H3 |
| InChIKey | UUDQOHNWMFLJNK-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 | 7jHwgADy4cq |
|---|---|
| Name | Diethylmalonic acid, diundecyl 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/c1-5-9-11-13-15-17-19-21-23-25-32-27(30)29(7-3,8-4)28(31)33-26-24-22-20-18-16-14-12-10-6-2/h5-26H2,1-4H3 |
| InChIKey | UUDQOHNWMFLJNK-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCC)=O)(C(OCCCCCCCCCCC)=O)CC |