| SpectraBase Compound ID | 4seh5H2ofvc |
|---|---|
| InChI | InChI=1S/C19H35ClO4/c1-2-3-4-10-16-23-18(21)13-12-14-19(22)24-17-11-8-6-5-7-9-15-20/h2-17H2,1H3 |
| InChIKey | VXBQHELGQSKOHO-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 | 6hrza1wGDCa |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 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/c1-2-3-4-10-16-23-18(21)13-12-14-19(22)24-17-11-8-6-5-7-9-15-20/h2-17H2,1H3 |
| InChIKey | VXBQHELGQSKOHO-UHFFFAOYSA-N |
| Molecular Weight | 362.938 g/mol |
| SMILES | CCCCCCOC(CCCC(OCCCCCCCCCl)=O)=O |