| SpectraBase Compound ID | 6QW033znUKD |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-6-10-12-14-15-16-17-18-19-20-22-24-31-26(29)28(8-3,9-4)27(30)32-25(5)23-21-13-11-7-2/h25H,6-24H2,1-5H3 |
| InChIKey | WBRFBYYIGPRICL-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 | LbhbxaIM4Yy |
|---|---|
| Name | Diethylmalonic acid, 2-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/c1-6-10-12-14-15-16-17-18-19-20-22-24-31-26(29)28(8-3,9-4)27(30)32-25(5)23-21-13-11-7-2/h25H,6-24H2,1-5H3 |
| InChIKey | WBRFBYYIGPRICL-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC)C |