| SpectraBase Compound ID | DJ4EJfDf0UI |
|---|---|
| InChI | InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | URXVLIVRJJNJII-UHFFFAOYSA-N |
| Mol Weight | 242.66 g/mol |
| Molecular Formula | C11H11ClO4 |
| Exact Mass | 242.034587 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GJcwWrgNIPP |
|---|---|
| Name | Pentanedioic acid, 3-(4-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.034586530 u |
| Formula | C11H11ClO4 |
| InChI | InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16) |
| InChIKey | URXVLIVRJJNJII-UHFFFAOYSA-N |
| Molecular Weight | 242.658 g/mol |
| SMILES | C(CC(C1=CC=C(C=C1)Cl)CC(=O)O)(=O)O |