| SpectraBase Compound ID | 4Q5Eu1wBG4o |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-22-29-24(27)25(3,4)23(26)28-21-19-8-6-2/h5-22H2,1-4H3 |
| InChIKey | WYFLKTBYCKKDBF-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOTd4IzJsJw |
|---|---|
| Name | Dimethylmalonic acid, pentadecyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-20-22-29-24(27)25(3,4)23(26)28-21-19-8-6-2/h5-22H2,1-4H3 |
| InChIKey | WYFLKTBYCKKDBF-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | CCCCCOC(C(C(=O)OCCCCCCCCCCCCCCC)(C)C)=O |