| SpectraBase Compound ID | JzYCiTeqaDe |
|---|---|
| InChI | InChI=1S/C16H19ClO4/c1-2-20-15(18)11-7-3-4-8-12(11)16(19)21-14-10-6-5-9-13(14)17/h5-6,9-12H,2-4,7-8H2,1H3 |
| InChIKey | FNDHBEDDCVHTDY-UHFFFAOYSA-N |
| Mol Weight | 310.78 g/mol |
| Molecular Formula | C16H19ClO4 |
| Exact Mass | 310.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9HYxqI0VBY |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 2-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.097186788 u |
| Formula | C16H19ClO4 |
| InChI | InChI=1S/C16H19ClO4/c1-2-20-15(18)11-7-3-4-8-12(11)16(19)21-14-10-6-5-9-13(14)17/h5-6,9-12H,2-4,7-8H2,1H3 |
| InChIKey | FNDHBEDDCVHTDY-UHFFFAOYSA-N |
| Molecular Weight | 310.777 g/mol |
| SMILES | C(C1CCCCC1C(=O)OC1=CC=CC=C1Cl)(OCC)=O |