| SpectraBase Compound ID | LSgmROcurOI |
|---|---|
| InChI | InChI=1S/C19H35ClO4/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h17H,3-16H2,1-2H3 |
| InChIKey | ZBKKOEJNFUJIIM-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 | 7xNvzhNX3fN |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 3-hexyl 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/c1-3-12-17(4-2)24-19(22)14-11-13-18(21)23-16-10-8-6-5-7-9-15-20/h17H,3-16H2,1-2H3 |
| InChIKey | ZBKKOEJNFUJIIM-UHFFFAOYSA-N |
| Molecular Weight | 362.938 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC(CCC)CC)=O |