| SpectraBase Compound ID | IrXF2SpAKUC |
|---|---|
| InChI | InChI=1S/C13H19N3O4S/c1-5-19-11(17)10-7-9(8(3)16(10)4)14-12(21)15-13(18)20-6-2/h7H,5-6H2,1-4H3,(H2,14,15,18,21) |
| InChIKey | HKZGQIQNLXMIMT-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C13H19N3O4S |
| Exact Mass | 313.109627 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cxt6BCrJZiS |
|---|---|
| Name | 4-(3-carboxy-2-thioureido)-1,5-dimethylpyrrole-2-carboxylic acid, diethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19N3O4S |
| InChI | InChI=1S/C13H19N3O4S/c1-5-19-11(17)10-7-9(8(3)16(10)4)14-12(21)15-13(18)20-6-2/h7H,5-6H2,1-4H3,(H2,14,15,18,21) |
| InChIKey | HKZGQIQNLXMIMT-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 32224M |
| Solvent | CDCl3 |