| SpectraBase Compound ID | IsY3VYuCz64 |
|---|---|
| InChI | InChI=1S/C14H15ClN2O2S/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2 |
| InChIKey | ZKFSTWLGBRQKCJ-UHFFFAOYSA-N |
| Mol Weight | 310.8 g/mol |
| Molecular Formula | C14H15ClN2O2S |
| Exact Mass | 310.054277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15FHTjVG6Nn |
|---|---|
| Name | 1-(4-Chlorophenyl)-3-(4-thiomorpholinyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.054276603 u |
| Formula | C14H15ClN2O2S |
| InChI | InChI=1S/C14H15ClN2O2S/c15-10-1-3-11(4-2-10)17-13(18)9-12(14(17)19)16-5-7-20-8-6-16/h1-4,12H,5-9H2 |
| InChIKey | ZKFSTWLGBRQKCJ-UHFFFAOYSA-N |
| Molecular Weight | 310.799 g/mol |
| SMILES | C1CN(C2C(N(C(C2)=O)C2=CC=C(C=C2)Cl)=O)CCS1 |