| SpectraBase Compound ID | HpRqLl2k9bA |
|---|---|
| InChI | InChI=1S/C17H27ClO4/c1-2-21-16(19)13-8-4-5-9-14(13)17(20)22-11-12-7-3-6-10-15(12)18/h12-15H,2-11H2,1H3 |
| InChIKey | SGYFWXNKKCRNJO-UHFFFAOYSA-N |
| Mol Weight | 330.85 g/mol |
| Molecular Formula | C17H27ClO4 |
| Exact Mass | 330.159787 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QJMmH3Htf7 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.159787045 u |
| Formula | C17H27ClO4 |
| InChI | InChI=1S/C17H27ClO4/c1-2-21-16(19)13-8-4-5-9-14(13)17(20)22-11-12-7-3-6-10-15(12)18/h12-15H,2-11H2,1H3 |
| InChIKey | SGYFWXNKKCRNJO-UHFFFAOYSA-N |
| Molecular Weight | 330.852 g/mol |
| SMILES | C1CC(C(CC1)COC(C1CCCCC1C(OCC)=O)=O)Cl |