| SpectraBase Compound ID | 3ADWxw5ngND |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-4-7-14-19-26-22(24)17-12-10-8-9-11-13-18-23(25)27-20-21(15-5-2)16-6-3/h21H,4-20H2,1-3H3 |
| InChIKey | ZOYQKTUQTYSMCP-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tHpEudzY5N |
|---|---|
| Name | Sebacic acid, pentyl 2-propylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-4-7-14-19-26-22(24)17-12-10-8-9-11-13-18-23(25)27-20-21(15-5-2)16-6-3/h21H,4-20H2,1-3H3 |
| InChIKey | ZOYQKTUQTYSMCP-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCCCCC(OCC(CCC)CCC)=O)C(OCCCCC)=O |