| SpectraBase Compound ID | 1XX02HO2Q4O |
|---|---|
| InChI | InChI=1S/C18H22Cl2O4/c19-14-9-10-15(20)16(11-14)24-18(22)8-4-7-17(21)23-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12H2 |
| InChIKey | RMOSVVKFNFGIEB-UHFFFAOYSA-N |
| Mol Weight | 373.28 g/mol |
| Molecular Formula | C18H22Cl2O4 |
| Exact Mass | 372.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KOAG3GYWa27 |
|---|---|
| Name | Glutaric acid, cyclohexylmethyl 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.089514584 u |
| Formula | C18H22Cl2O4 |
| InChI | InChI=1S/C18H22Cl2O4/c19-14-9-10-15(20)16(11-14)24-18(22)8-4-7-17(21)23-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12H2 |
| InChIKey | RMOSVVKFNFGIEB-UHFFFAOYSA-N |
| Molecular Weight | 373.276 g/mol |
| SMILES | C(CCC(OCC1CCCCC1)=O)C(OC1=CC(=CC=C1Cl)Cl)=O |