| SpectraBase Compound ID | 1yboUZijisi |
|---|---|
| InChI | InChI=1S/C20H35ClO4/c1-17-11-13-18(14-12-17)25-20(23)10-8-9-19(22)24-16-7-5-3-2-4-6-15-21/h17-18H,2-16H2,1H3 |
| InChIKey | YPYDVTYRTJCBEL-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 | 4vrghE6k5tU |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 4-methylcyclohexyl 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/c1-17-11-13-18(14-12-17)25-20(23)10-8-9-19(22)24-16-7-5-3-2-4-6-15-21/h17-18H,2-16H2,1H3 |
| InChIKey | YPYDVTYRTJCBEL-UHFFFAOYSA-N |
| Molecular Weight | 374.949 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC1CCC(CC1)C)=O |