| SpectraBase Compound ID | CcbxOU0qGf0 |
|---|---|
| InChI | InChI=1S/C21H37ClO4/c1-17-12-13-19(16-18(17)2)26-21(24)11-9-10-20(23)25-15-8-6-4-3-5-7-14-22/h17-19H,3-16H2,1-2H3 |
| InChIKey | BUZXPHIZMCGOLG-UHFFFAOYSA-N |
| Mol Weight | 389.0 g/mol |
| Molecular Formula | C21H37ClO4 |
| Exact Mass | 388.238037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Edo9g4P6lL6 |
|---|---|
| Name | Glutaric acid, 3,4-dimethylcyclohexyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.238037367 u |
| Formula | C21H37ClO4 |
| InChI | InChI=1S/C21H37ClO4/c1-17-12-13-19(16-18(17)2)26-21(24)11-9-10-20(23)25-15-8-6-4-3-5-7-14-22/h17-19H,3-16H2,1-2H3 |
| InChIKey | BUZXPHIZMCGOLG-UHFFFAOYSA-N |
| Molecular Weight | 388.976 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OC1CC(C(C)CC1)C)=O |