| SpectraBase Compound ID | 74qRoleROH4 |
|---|---|
| InChI | InChI=1S/C27H52O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)27(6-2,7-3)26(29)32-24-23-30-4/h5-24H2,1-4H3 |
| InChIKey | UXJNCVMBZHPGAZ-UHFFFAOYSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C27H52O5 |
| Exact Mass | 456.381475 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LZpFXQKj7T4 |
|---|---|
| Name | Diethylmalonic acid, heptadecyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.381474769 u |
| Formula | C27H52O5 |
| InChI | InChI=1S/C27H52O5/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31-25(28)27(6-2,7-3)26(29)32-24-23-30-4/h5-24H2,1-4H3 |
| InChIKey | UXJNCVMBZHPGAZ-UHFFFAOYSA-N |
| Molecular Weight | 456.708 g/mol |
| SMILES | C(C(C(OCCCCCCCCCCCCCCCCC)=O)(CC)CC)(OCCOC)=O |