| SpectraBase Compound ID | IscMNmCZoet |
|---|---|
| InChI | InChI=1S/C19H35ClO4/c1-2-3-4-6-11-16-23-18(21)13-8-9-14-19(22)24-17-12-7-5-10-15-20/h2-17H2,1H3 |
| InChIKey | HGDRAOGJIFGEIH-UHFFFAOYSA-N |
| Mol Weight | 362.9 g/mol |
| Molecular Formula | C19H35ClO4 |
| Exact Mass | 362.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IP14ApqgaoL |
|---|---|
| Name | Adipic acid, 6-chlorohexyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.222387303 u |
| Formula | C19H35ClO4 |
| InChI | InChI=1S/C19H35ClO4/c1-2-3-4-6-11-16-23-18(21)13-8-9-14-19(22)24-17-12-7-5-10-15-20/h2-17H2,1H3 |
| InChIKey | HGDRAOGJIFGEIH-UHFFFAOYSA-N |
| Molecular Weight | 362.938 g/mol |
| SMILES | CCCCCCCOC(CCCCC(=O)OCCCCCCCl)=O |