| SpectraBase Compound ID | HnSCs4FYBVY |
|---|---|
| InChI | InChI=1S/C14H23ClO4/c1-10(2)9-19-14(17)12-6-4-3-5-11(12)13(16)18-8-7-15/h10-12H,3-9H2,1-2H3 |
| InChIKey | VZDFGACGGMQVTK-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 | DaWv9Xei6R5 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chloroethyl isobutyl 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/c1-10(2)9-19-14(17)12-6-4-3-5-11(12)13(16)18-8-7-15/h10-12H,3-9H2,1-2H3 |
| InChIKey | VZDFGACGGMQVTK-UHFFFAOYSA-N |
| SMILES | C1CC(C(CC1)C(=O)OCCCl)C(OCC(C)C)=O |