| SpectraBase Compound ID | HqSAICZBd9Z |
|---|---|
| InChI | InChI=1S/C22H41ClO4/c1-20(2)14-13-19-27-22(25)16-10-9-15-21(24)26-18-12-8-6-4-3-5-7-11-17-23/h20H,3-19H2,1-2H3 |
| InChIKey | LGNDHVOTKRSAIV-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 | 3W5dLFbLncm |
|---|---|
| Name | Adipic acid, 10-chlorodecyl isohexyl 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/c1-20(2)14-13-19-27-22(25)16-10-9-15-21(24)26-18-12-8-6-4-3-5-7-11-17-23/h20H,3-19H2,1-2H3 |
| InChIKey | LGNDHVOTKRSAIV-UHFFFAOYSA-N |
| Molecular Weight | 405.019 g/mol |
| SMILES | C(OCCCCCCCCCCCl)(CCCCC(OCCCC(C)C)=O)=O |