| SpectraBase Compound ID | K2q77EidT2c |
|---|---|
| InChI | InChI=1S/C15H17Cl3O4/c1-2-21-13(19)6-4-3-5-7-14(20)22-15-11(17)8-10(16)9-12(15)18/h8-9H,2-7H2,1H3 |
| InChIKey | ZEUYAOPEZKPUES-UHFFFAOYSA-N |
| Mol Weight | 367.66 g/mol |
| Molecular Formula | C15H17Cl3O4 |
| Exact Mass | 366.019242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ag0mzXyG1x |
|---|---|
| Name | Pimelic acid, ethyl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.019242123 u |
| Formula | C15H17Cl3O4 |
| InChI | InChI=1S/C15H17Cl3O4/c1-2-21-13(19)6-4-3-5-7-14(20)22-15-11(17)8-10(16)9-12(15)18/h8-9H,2-7H2,1H3 |
| InChIKey | ZEUYAOPEZKPUES-UHFFFAOYSA-N |
| Molecular Weight | 367.656 g/mol |
| SMILES | C(CCCC(OCC)=O)CC(OC=1C(=CC(=CC1Cl)Cl)Cl)=O |