| SpectraBase Compound ID | 3RcSY4XVOb6 |
|---|---|
| InChI | InChI=1S/C27H52O5/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-31-26(28)21-18-15-12-13-16-19-22-27(29)32-25-24-30-2/h3-25H2,1-2H3 |
| InChIKey | XSCPIHQSLZTLKF-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 | HSQMlRpOuH1 |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl tetradecyl 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/c1-3-4-5-6-7-8-9-10-11-14-17-20-23-31-26(28)21-18-15-12-13-16-19-22-27(29)32-25-24-30-2/h3-25H2,1-2H3 |
| InChIKey | XSCPIHQSLZTLKF-UHFFFAOYSA-N |
| Molecular Weight | 456.708 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCCCCC)=O)=O)COC |