| SpectraBase Compound ID | LEExDz8W9hV |
|---|---|
| InChI | InChI=1S/C32H62O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-35-31(33)27-23-24-28-32(34)36-30(6-3)26-5-2/h30H,4-29H2,1-3H3 |
| InChIKey | TZROWPKKSDDYGB-UHFFFAOYSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C32H62O4 |
| Exact Mass | 510.46481 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DVAgscn3doj |
|---|---|
| Name | Adipic acid, eicosyl 3-hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 510.464810472 u |
| Formula | C32H62O4 |
| InChI | InChI=1S/C32H62O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-35-31(33)27-23-24-28-32(34)36-30(6-3)26-5-2/h30H,4-29H2,1-3H3 |
| InChIKey | TZROWPKKSDDYGB-UHFFFAOYSA-N |
| Molecular Weight | 510.844 g/mol |
| SMILES | C(C(OC(CC)CCC)=O)CCCC(OCCCCCCCCCCCCCCCCCCCC)=O |