| SpectraBase Compound ID | KEylxgLrEis |
|---|---|
| InChI | InChI=1S/C26H50O5/c1-3-4-5-6-7-8-9-10-13-16-19-22-30-25(27)20-17-14-11-12-15-18-21-26(28)31-24-23-29-2/h3-24H2,1-2H3 |
| InChIKey | MCLNTLKPWANDQA-UHFFFAOYSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C26H50O5 |
| Exact Mass | 442.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMb4M6dWJYN |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.365824705 u |
| Formula | C26H50O5 |
| InChI | InChI=1S/C26H50O5/c1-3-4-5-6-7-8-9-10-13-16-19-22-30-25(27)20-17-14-11-12-15-18-21-26(28)31-24-23-29-2/h3-24H2,1-2H3 |
| InChIKey | MCLNTLKPWANDQA-UHFFFAOYSA-N |
| Molecular Weight | 442.681 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCCCC)=O)=O)COC |