| SpectraBase Compound ID | ATQbb05Z9fl |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-11-21-14(19)9-4-3-5-10-15(20)22-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3 |
| InChIKey | VQVXPPSULUQABR-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKtvZDcdWSr |
|---|---|
| Name | Pimelic acid, 2,6-dichlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c1-2-11-21-14(19)9-4-3-5-10-15(20)22-16-12(17)7-6-8-13(16)18/h6-8H,2-5,9-11H2,1H3 |
| InChIKey | VQVXPPSULUQABR-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OC1=C(C=CC=C1Cl)Cl)(=O)CCCCCC(OCCC)=O |