| SpectraBase Compound ID | IFysVLolbBL |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-4-7-8-15-20-27-23(25)18-13-11-9-10-12-14-19-24(26)28-21-22(16-5-2)17-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | OEPHKODUVGHWHY-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DugekPJTN91 |
|---|---|
| Name | Sebacic acid, hexyl 2-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-4-7-8-15-20-27-23(25)18-13-11-9-10-12-14-19-24(26)28-21-22(16-5-2)17-6-3/h22H,4-21H2,1-3H3 |
| InChIKey | OEPHKODUVGHWHY-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCCC)=O |