| SpectraBase Compound ID | 40WT5v0UZsx |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-7-8-9-10-11-12-13-16-19-27-23(25)21-17-14-15-18-22(21)24(26)28-20(5-2)6-3/h20-22H,4-19H2,1-3H3 |
| InChIKey | VSQJPVVCTXSIJJ-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rPvXDYoypp |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3-pentyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-4-7-8-9-10-11-12-13-16-19-27-23(25)21-17-14-15-18-22(21)24(26)28-20(5-2)6-3/h20-22H,4-19H2,1-3H3 |
| InChIKey | VSQJPVVCTXSIJJ-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | CCCCCCCCCCCOC(C1C(C(=O)OC(CC)CC)CCCC1)=O |