| SpectraBase Compound ID | HkHIOqkwkws |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-2-8-22-16(20)6-4-3-5-7-17(21)23-12-13-9-14(18)11-15(19)10-13/h9-11H,2-8,12H2,1H3 |
| InChIKey | QLCZPDGKGHQYRV-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ue7aTOSH9Y |
|---|---|
| Name | Pimelic acid, 3,5-dichlorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-2-8-22-16(20)6-4-3-5-7-17(21)23-12-13-9-14(18)11-15(19)10-13/h9-11H,2-8,12H2,1H3 |
| InChIKey | QLCZPDGKGHQYRV-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | C(OCC=1C=C(C=C(Cl)C1)Cl)(=O)CCCCCC(OCCC)=O |