| SpectraBase Compound ID | 4pAjoZT2ySe |
|---|---|
| InChI | InChI=1S/C24H44O5/c1-2-3-4-5-8-11-14-19-28-23(25)17-12-9-6-7-10-13-18-24(26)29-21-22-16-15-20-27-22/h22H,2-21H2,1H3 |
| InChIKey | SBKCDUQFWYWGNU-UHFFFAOYSA-N |
| Mol Weight | 412.6 g/mol |
| Molecular Formula | C24H44O5 |
| Exact Mass | 412.318875 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H8jobSARa14 |
|---|---|
| Name | Sebacic acid, tetrahydrofurfuryl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.318874512 u |
| Formula | C24H44O5 |
| InChI | InChI=1S/C24H44O5/c1-2-3-4-5-8-11-14-19-28-23(25)17-12-9-6-7-10-13-18-24(26)29-21-22-16-15-20-27-22/h22H,2-21H2,1H3 |
| InChIKey | SBKCDUQFWYWGNU-UHFFFAOYSA-N |
| Molecular Weight | 412.611 g/mol |
| SMILES | C1(CCCO1)COC(CCCCCCCCC(OCCCCCCCCC)=O)=O |