| SpectraBase Compound ID | 4x1OoleNLag |
|---|---|
| InChI | InChI=1S/C26H48O5/c1-2-3-4-5-6-7-10-13-16-21-30-25(27)19-14-11-8-9-12-15-20-26(28)31-23-24-18-17-22-29-24/h24H,2-23H2,1H3 |
| InChIKey | HMSATPKJJQSGJN-UHFFFAOYSA-N |
| Mol Weight | 440.7 g/mol |
| Molecular Formula | C26H48O5 |
| Exact Mass | 440.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BzppdzA14fa |
|---|---|
| Name | Sebacic acid, tetrahydrofurfuryl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.350174641 u |
| Formula | C26H48O5 |
| InChI | InChI=1S/C26H48O5/c1-2-3-4-5-6-7-10-13-16-21-30-25(27)19-14-11-8-9-12-15-20-26(28)31-23-24-18-17-22-29-24/h24H,2-23H2,1H3 |
| InChIKey | HMSATPKJJQSGJN-UHFFFAOYSA-N |
| Molecular Weight | 440.665 g/mol |
| SMILES | C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCCCC)=O)=O |