| SpectraBase Compound ID | KaYWmDqkHXV |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-5-9-14-20(7-3)18-26-22(24)16-12-11-13-17-23(25)27-19-21(8-4)15-10-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | FPUZLBVWHHRQAA-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 | H1jjtvNqGCB |
|---|---|
| Name | Pimelic acid, di(2-ethylhexyl) 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/c1-5-9-14-20(7-3)18-26-22(24)16-12-11-13-17-23(25)27-19-21(8-4)15-10-6-2/h20-21H,5-19H2,1-4H3 |
| InChIKey | FPUZLBVWHHRQAA-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(OCC(CC)CCCC)(=O)CCCCCC(OCC(CCCC)CC)=O |