| SpectraBase Compound ID | 1jAhEqSlV43 |
|---|---|
| InChI | InChI=1S/C15H25ClO4/c1-2-3-6-10-19-14(17)12-7-4-5-8-13(12)15(18)20-11-9-16/h12-13H,2-11H2,1H3 |
| InChIKey | MYDXJQWVAFPPRE-UHFFFAOYSA-N |
| Mol Weight | 304.81 g/mol |
| Molecular Formula | C15H25ClO4 |
| Exact Mass | 304.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQxTJYk8yHi |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.144136981 u |
| Formula | C15H25ClO4 |
| InChI | InChI=1S/C15H25ClO4/c1-2-3-6-10-19-14(17)12-7-4-5-8-13(12)15(18)20-11-9-16/h12-13H,2-11H2,1H3 |
| InChIKey | MYDXJQWVAFPPRE-UHFFFAOYSA-N |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCCC)=O |