| SpectraBase Compound ID | EaOf1ZNK8tM |
|---|---|
| InChI | InChI=1S/C17H21ClO4/c1-2-10-21-16(19)14-8-3-4-9-15(14)17(20)22-13-7-5-6-12(18)11-13/h5-7,11,14-15H,2-4,8-10H2,1H3 |
| InChIKey | QSVCXDSXLXGQPS-UHFFFAOYSA-N |
| Mol Weight | 324.8 g/mol |
| Molecular Formula | C17H21ClO4 |
| Exact Mass | 324.112837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bml7ez91UQ5 |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.112836852 u |
| Formula | C17H21ClO4 |
| InChI | InChI=1S/C17H21ClO4/c1-2-10-21-16(19)14-8-3-4-9-15(14)17(20)22-13-7-5-6-12(18)11-13/h5-7,11,14-15H,2-4,8-10H2,1H3 |
| InChIKey | QSVCXDSXLXGQPS-UHFFFAOYSA-N |
| Molecular Weight | 324.804 g/mol |
| SMILES | C1CCCC(C1C(OCCC)=O)C(=O)OC=1C=CC=C(C1)Cl |