| SpectraBase Compound ID | JxPP2bE7QKs |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-6-10-12-14-15-16-17-18-19-20-21-23-25-32-27(30)29(8-3,9-4)28(31)33-26(5)24-22-13-11-7-2/h26H,6-25H2,1-5H3 |
| InChIKey | FEIGYKRFHKKUQF-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 | 7cFDFzY65ns |
|---|---|
| Name | Diethylmalonic acid, 2-octyl tetradecyl 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/c1-6-10-12-14-15-16-17-18-19-20-21-23-25-32-27(30)29(8-3,9-4)28(31)33-26(5)24-22-13-11-7-2/h26H,6-25H2,1-5H3 |
| InChIKey | FEIGYKRFHKKUQF-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC(C)CCCCCC)=O)CC |