| SpectraBase Compound ID | FdZlXC0Mq14 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-21-15(19)6-4-3-5-7-16(20)22-11-12-8-13(17)10-14(18)9-12/h8-10H,2-7,11H2,1H3 |
| InChIKey | BVTKMPSULPSIOC-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 | 5xxxUgzBLrA |
|---|---|
| Name | Pimelic acid, 3,5-dichlorobenzyl ethyl 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/c1-2-21-15(19)6-4-3-5-7-16(20)22-11-12-8-13(17)10-14(18)9-12/h8-10H,2-7,11H2,1H3 |
| InChIKey | BVTKMPSULPSIOC-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OCC=1C=C(C=C(Cl)C1)Cl)(=O)CCCCCC(OCC)=O |