| SpectraBase Compound ID | BWui0agYWZ6 |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-5-9-11-13-15-16-17-18-19-21-23-25-32-27(30)28(7-3,8-4)26(29)31-24-22-20-14-12-10-6-2/h5-25H2,1-4H3 |
| InChIKey | MVMLAXILDHRCTK-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpgrPdSFG9I |
|---|---|
| Name | Diethylmalonic acid, octyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-5-9-11-13-15-16-17-18-19-21-23-25-32-27(30)28(7-3,8-4)26(29)31-24-22-20-14-12-10-6-2/h5-25H2,1-4H3 |
| InChIKey | MVMLAXILDHRCTK-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | CCC(C(OCCCCCCCC)=O)(C(OCCCCCCCCCCCCC)=O)CC |