| SpectraBase Compound ID | HUioMpR0oOF |
|---|---|
| InChI | InChI=1S/C29H56O4/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)29(4,5)28(31)33-26(23-8-3)24-10-7-2/h26H,6-25H2,1-5H3 |
| InChIKey | QJICPZQJSTZTHS-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 | 69LCsLhzA8a |
|---|---|
| Name | Dimethylmalonic acid, hexadecyl 4-octyl 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/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-25-32-27(30)29(4,5)28(31)33-26(23-8-3)24-10-7-2/h26H,6-25H2,1-5H3 |
| InChIKey | QJICPZQJSTZTHS-UHFFFAOYSA-N |
| Molecular Weight | 468.763 g/mol |
| SMILES | CCCC(OC(=O)C(C)(C)C(OCCCCCCCCCCCCCCCC)=O)CCCC |