| SpectraBase Compound ID | 1mp8JhKFTug |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-13-8-5-7-12(17)16(13)18/h5,7-8H,2-4,6,9-11H2,1H3 |
| InChIKey | VTJYUENXVGAJQL-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 | 2ci916U9me4 |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl pentyl 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/c1-2-3-4-11-21-14(19)9-6-10-15(20)22-13-8-5-7-12(17)16(13)18/h5,7-8H,2-4,6,9-11H2,1H3 |
| InChIKey | VTJYUENXVGAJQL-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | CCCCCOC(CCCC(OC1=CC=CC(=C1Cl)Cl)=O)=O |