| SpectraBase Compound ID | KDxPev3O05x |
|---|---|
| InChI | InChI=1S/C14H23ClO4/c1-2-3-9-18-13(16)11-6-4-5-7-12(11)14(17)19-10-8-15/h11-12H,2-10H2,1H3 |
| InChIKey | SGIWRAGFENWKHK-UHFFFAOYSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C14H23ClO4 |
| Exact Mass | 290.128487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATgyt8sWSot |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl 2-chloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.128486917 u |
| Formula | C14H23ClO4 |
| InChI | InChI=1S/C14H23ClO4/c1-2-3-9-18-13(16)11-6-4-5-7-12(11)14(17)19-10-8-15/h11-12H,2-10H2,1H3 |
| InChIKey | SGIWRAGFENWKHK-UHFFFAOYSA-N |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCCCC)=O |