| SpectraBase Compound ID | 8i8xrOpG4pR |
|---|---|
| InChI | InChI=1S/C22H41ClO4/c1-2-3-4-5-9-14-19-26-21(24)16-11-12-17-22(25)27-20-15-10-7-6-8-13-18-23/h2-20H2,1H3 |
| InChIKey | PNWBSXSNFVCEKW-UHFFFAOYSA-N |
| Mol Weight | 405.0 g/mol |
| Molecular Formula | C22H41ClO4 |
| Exact Mass | 404.269337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RG3oCxFeqW |
|---|---|
| Name | Adipic acid, 8-chloroctyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.269337496 u |
| Formula | C22H41ClO4 |
| InChI | InChI=1S/C22H41ClO4/c1-2-3-4-5-9-14-19-26-21(24)16-11-12-17-22(25)27-20-15-10-7-6-8-13-18-23/h2-20H2,1H3 |
| InChIKey | PNWBSXSNFVCEKW-UHFFFAOYSA-N |
| Molecular Weight | 405.019 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCCCCCC)=O)=O |