| SpectraBase Compound ID | 3dLBoBKaezM |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-3-11(2)10-21-14(19)8-5-9-15(20)22-13-7-4-6-12(17)16(13)18/h4,6-7,11H,3,5,8-10H2,1-2H3 |
| InChIKey | CCTJHZGTYOJVIB-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 | 8pSU5fJPZ0I |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl 2-methylbutyl 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/c1-3-11(2)10-21-14(19)8-5-9-15(20)22-13-7-4-6-12(17)16(13)18/h4,6-7,11H,3,5,8-10H2,1-2H3 |
| InChIKey | CCTJHZGTYOJVIB-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OCC(CC)C)=O |