| SpectraBase Compound ID | HUGZCRfSpin |
|---|---|
| InChI | InChI=1S/C25H48O4/c1-5-9-16-21-28-24(26)17-14-12-10-11-13-15-18-25(27)29-23(8-4)20-19-22(6-2)7-3/h22-23H,5-21H2,1-4H3 |
| InChIKey | RENSNPGBZIFDIS-UHFFFAOYSA-N |
| Mol Weight | 412.7 g/mol |
| Molecular Formula | C25H48O4 |
| Exact Mass | 412.35526 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rwoqDnT9UF |
|---|---|
| Name | Sebacic acid, 6-ethyloct-3-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.355260022 u |
| Formula | C25H48O4 |
| InChI | InChI=1S/C25H48O4/c1-5-9-16-21-28-24(26)17-14-12-10-11-13-15-18-25(27)29-23(8-4)20-19-22(6-2)7-3/h22-23H,5-21H2,1-4H3 |
| InChIKey | RENSNPGBZIFDIS-UHFFFAOYSA-N |
| Molecular Weight | 412.655 g/mol |
| SMILES | C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCC)=O |