| SpectraBase Compound ID | BL8FpBfdOHd |
|---|---|
| InChI | InChI=1S/C24H46O5/c1-3-4-5-6-7-8-11-14-17-20-28-23(25)18-15-12-9-10-13-16-19-24(26)29-22-21-27-2/h3-22H2,1-2H3 |
| InChIKey | BQYDYKVOUGDCFB-UHFFFAOYSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H46O5 |
| Exact Mass | 414.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ku1tFpddOcZ |
|---|---|
| Name | Sebacic acid, 2-methoxyethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.334524576 u |
| Formula | C24H46O5 |
| InChI | InChI=1S/C24H46O5/c1-3-4-5-6-7-8-11-14-17-20-28-23(25)18-15-12-9-10-13-16-19-24(26)29-22-21-27-2/h3-22H2,1-2H3 |
| InChIKey | BQYDYKVOUGDCFB-UHFFFAOYSA-N |
| Molecular Weight | 414.627 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCCCC)=O)=O)COC |