| SpectraBase Compound ID | 5HmEvruOgoE |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-13(18)9-4-3-5-10-14(19)21-15-11(16)7-6-8-12(15)17/h6-8H,2-5,9-10H2,1H3 |
| InChIKey | CYAYMAUXVFOUDF-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6KcRud5YW3T |
|---|---|
| Name | Pimelic acid, 2,6-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-13(18)9-4-3-5-10-14(19)21-15-11(16)7-6-8-12(15)17/h6-8H,2-5,9-10H2,1H3 |
| InChIKey | CYAYMAUXVFOUDF-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(OC1=C(C=CC=C1Cl)Cl)(=O)CCCCCC(OCC)=O |