| SpectraBase Compound ID | 4fb1cvgBE3F |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-3-9-21-15(19)5-4-6-16(20)22-11-12-10-13(17)7-8-14(12)18/h7-8,10H,2-6,9,11H2,1H3 |
| InChIKey | LFSHNEFZMAJPJO-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 | 7g3wwIT6qes |
|---|---|
| Name | Glutaric acid, 2,5-dichlorobenzyl butyl 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/c1-2-3-9-21-15(19)5-4-6-16(20)22-11-12-10-13(17)7-8-14(12)18/h7-8,10H,2-6,9,11H2,1H3 |
| InChIKey | LFSHNEFZMAJPJO-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(OCC1=CC(=CC=C1Cl)Cl)(=O)CCCC(=O)OCCCC |