| SpectraBase Compound ID | 1PhqdXWTJJK |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-8-15-19-26-22(24)17-13-11-9-10-12-14-18-23(25)27-21(7-3)20(4)16-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | PKLJKBRKYRFJCT-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 | 204hGOwJliS |
|---|---|
| Name | Sebacic acid, 4-methylhept-3-yl pentyl 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/c1-5-8-15-19-26-22(24)17-13-11-9-10-12-14-18-23(25)27-21(7-3)20(4)16-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | PKLJKBRKYRFJCT-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(CCCCCCCC(OC(C(C)CCC)CC)=O)C(OCCCCC)=O |