| SpectraBase Compound ID | 5dmgiAGSjcw |
|---|---|
| InChI | InChI=1S/C20H35ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)13-10-14-20(23)25-17-18-11-6-5-7-12-18/h18H,1-17H2 |
| InChIKey | IFFARWVALOVMMD-UHFFFAOYSA-N |
| Mol Weight | 374.9 g/mol |
| Molecular Formula | C20H35ClO4 |
| Exact Mass | 374.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BmPQwDMq2Um |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.222387303 u |
| Formula | C20H35ClO4 |
| InChI | InChI=1S/C20H35ClO4/c21-15-8-3-1-2-4-9-16-24-19(22)13-10-14-20(23)25-17-18-11-6-5-7-12-18/h18H,1-17H2 |
| InChIKey | IFFARWVALOVMMD-UHFFFAOYSA-N |
| Molecular Weight | 374.949 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OCCCCCCCCCl)=O |