| SpectraBase Compound ID | 3TAFbXGWcHW |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-11(2)8-9-21-15(19)4-3-5-16(20)22-14-10-12(17)6-7-13(14)18/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | MBCOQKZDZJXVPJ-UHFFFAOYSA-N |
| Mol Weight | 345.22 g/mol |
| Molecular Formula | C16H18Cl2O4 |
| Exact Mass | 344.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 68ghDCHUGd0 |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.058214456 u |
| Formula | C16H18Cl2O4 |
| InChI | InChI=1S/C16H18Cl2O4/c1-11(2)8-9-21-15(19)4-3-5-16(20)22-14-10-12(17)6-7-13(14)18/h6-8,10H,3-5,9H2,1-2H3 |
| InChIKey | MBCOQKZDZJXVPJ-UHFFFAOYSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OC1=CC(=CC=C1Cl)Cl)=O |