| SpectraBase Compound ID | ILKFckdkj7g |
|---|---|
| InChI | InChI=1S/C16H18Cl2O4/c1-3-6-11(2)21-14(19)9-5-10-15(20)22-13-8-4-7-12(17)16(13)18/h3-4,7-8,11H,1,5-6,9-10H2,2H3 |
| InChIKey | FXIWSRKMAONKEO-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 | BO5HsEBlVMH |
|---|---|
| Name | Glutaric acid, 2,3-dichlorophenyl pent-4-en-2-yl 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/c1-3-6-11(2)21-14(19)9-5-10-15(20)22-13-8-4-7-12(17)16(13)18/h3-4,7-8,11H,1,5-6,9-10H2,2H3 |
| InChIKey | FXIWSRKMAONKEO-UHFFFAOYSA-N |
| Molecular Weight | 345.222 g/mol |
| SMILES | C(CCC(OC1=C(C(=CC=C1)Cl)Cl)=O)C(OC(C)CC=C)=O |