| SpectraBase Compound ID | 5YqFyQL2D7U |
|---|---|
| InChI | InChI=1S/C25H48O5/c1-3-4-5-6-7-8-9-12-15-18-21-29-24(26)19-16-13-10-11-14-17-20-25(27)30-23-22-28-2/h3-23H2,1-2H3 |
| InChIKey | VZFQSSOMEKUTIJ-UHFFFAOYSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C25H48O5 |
| Exact Mass | 428.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fKTb91dUr9 |
|---|---|
| Name | Sebacic acid, dodecyl 2-methoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.350174641 u |
| Formula | C25H48O5 |
| InChI | InChI=1S/C25H48O5/c1-3-4-5-6-7-8-9-12-15-18-21-29-24(26)19-16-13-10-11-14-17-20-25(27)30-23-22-28-2/h3-23H2,1-2H3 |
| InChIKey | VZFQSSOMEKUTIJ-UHFFFAOYSA-N |
| Molecular Weight | 428.654 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCCC)=O)=O)COC |