| SpectraBase Compound ID | 4nLTiRf1Is1 |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-10(2)11(3)21-15(19)5-4-6-16(20)22-14-8-7-12(17)9-13(14)18/h7-11H,4-6H2,1-3H3 |
| InChIKey | QBOWAUGBGIRQEW-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 | JexIBVuQftt |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 2,4-dichlorophenyl 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/c1-10(2)11(3)21-15(19)5-4-6-16(20)22-14-8-7-12(17)9-13(14)18/h7-11H,4-6H2,1-3H3 |
| InChIKey | QBOWAUGBGIRQEW-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC=1C(=CC(=CC1)Cl)Cl)=O |