| SpectraBase Compound ID | 3sTw44Rch28 |
|---|---|
| InChI | InChI=1S/C13H12ClNO4/c14-9-3-1-8(2-4-9)10(7-13(18)19)15-11(16)5-6-12(15)17/h1-4,10H,5-7H2,(H,18,19) |
| InChIKey | CXIWTSMKQUFYIR-UHFFFAOYSA-N |
| Mol Weight | 281.69 g/mol |
| Molecular Formula | C13H12ClNO4 |
| Exact Mass | 281.045486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4f1Frt0t3QC |
|---|---|
| Name | 3-(4-Chlorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.045485566 u |
| Formula | C13H12ClNO4 |
| InChI | InChI=1S/C13H12ClNO4/c14-9-3-1-8(2-4-9)10(7-13(18)19)15-11(16)5-6-12(15)17/h1-4,10H,5-7H2,(H,18,19) |
| InChIKey | CXIWTSMKQUFYIR-UHFFFAOYSA-N |
| SMILES | C1(CCC(N1C(CC(O)=O)C=1C=CC(=CC1)Cl)=O)=O |