| SpectraBase Compound ID | BIs1RaWMjbn |
|---|---|
| InChI | InChI=1S/C18H33ClO4/c1-2-3-15-22-17(20)12-8-9-13-18(21)23-16-11-7-5-4-6-10-14-19/h2-16H2,1H3 |
| InChIKey | HETXEZMDDSWKRG-UHFFFAOYSA-N |
| Mol Weight | 348.9 g/mol |
| Molecular Formula | C18H33ClO4 |
| Exact Mass | 348.206737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7hpwiclncml |
|---|---|
| Name | Adipic acid, butyl 8-chloroctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.206737239 u |
| Formula | C18H33ClO4 |
| InChI | InChI=1S/C18H33ClO4/c1-2-3-15-22-17(20)12-8-9-13-18(21)23-16-11-7-5-4-6-10-14-19/h2-16H2,1H3 |
| InChIKey | HETXEZMDDSWKRG-UHFFFAOYSA-N |
| Molecular Weight | 348.911 g/mol |
| SMILES | C(OCCCCCCCCCl)(CCCCC(OCCCC)=O)=O |