| SpectraBase Compound ID | 4BJ2mt7keMG |
|---|---|
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-8-10-13-18-23-30-25(28)20-15-16-21-26(29)31-24-19-14-11-9-12-17-22-27/h2-24H2,1H3 |
| InChIKey | WZKJRQQTUGHAKP-UHFFFAOYSA-N |
| Mol Weight | 461.1 g/mol |
| Molecular Formula | C26H49ClO4 |
| Exact Mass | 460.331938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3KENVGv9mEc |
|---|---|
| Name | Adipic acid, 8-chloroctyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 460.331937754 u |
| Formula | C26H49ClO4 |
| InChI | InChI=1S/C26H49ClO4/c1-2-3-4-5-6-7-8-10-13-18-23-30-25(28)20-15-16-21-26(29)31-24-19-14-11-9-12-17-22-27/h2-24H2,1H3 |
| InChIKey | WZKJRQQTUGHAKP-UHFFFAOYSA-N |
| Molecular Weight | 461.127 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCCC)=O)=O |