| SpectraBase Compound ID | 7AeXec5vxw2 |
|---|---|
| InChI | InChI=1S/C15H13N3O2S/c1-10-3-5-11(6-4-10)18-13(19)9-12(14(18)20)21-15-16-7-2-8-17-15/h2-8,12H,9H2,1H3 |
| InChIKey | GPZFEZFVXNIOCX-UHFFFAOYSA-N |
| Mol Weight | 299.35 g/mol |
| Molecular Formula | C15H13N3O2S |
| Exact Mass | 299.072848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | RgOFoAyx6K |
|---|---|
| Name | 1-(4-Methylphenyl)-3-(2-pyrimidinylsulfanyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.072847843 u |
| Formula | C15H13N3O2S |
| InChI | InChI=1S/C15H13N3O2S/c1-10-3-5-11(6-4-10)18-13(19)9-12(14(18)20)21-15-16-7-2-8-17-15/h2-8,12H,9H2,1H3 |
| InChIKey | GPZFEZFVXNIOCX-UHFFFAOYSA-N |
| SMILES | CC1=CC=C(N2C(CC(C2=O)SC2=NC=CC=N2)=O)C=C1 |