| SpectraBase Compound ID | BXuO9iy09Ma |
|---|---|
| InChI | InChI=1S/C19H16Cl4O4/c20-14-8-6-12(10-16(14)22)26-18(24)4-2-1-3-5-19(25)27-13-7-9-15(21)17(23)11-13/h6-11H,1-5H2 |
| InChIKey | QZHBDCUOKURMRZ-UHFFFAOYSA-N |
| Mol Weight | 450.1 g/mol |
| Molecular Formula | C19H16Cl4O4 |
| Exact Mass | 447.98027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3QtnfX7JxGN |
|---|---|
| Name | Pimelic acid, di(3,4-dichlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 447.980269791 u |
| Formula | C19H16Cl4O4 |
| InChI | InChI=1S/C19H16Cl4O4/c20-14-8-6-12(10-16(14)22)26-18(24)4-2-1-3-5-19(25)27-13-7-9-15(21)17(23)11-13/h6-11H,1-5H2 |
| InChIKey | QZHBDCUOKURMRZ-UHFFFAOYSA-N |
| Molecular Weight | 450.145 g/mol |
| SMILES | C(OC1=CC(=C(C=C1)Cl)Cl)(=O)CCCCCC(OC1=CC(=C(C=C1)Cl)Cl)=O |