![4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester](/api/spectrum/6mXmuMScIx6/structure.png?h=300&w=458 "4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester")
| SpectraBase Compound ID | 1iXWvAwoSW7 |
|---|---|
| InChI | InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24) |
| InChIKey | IANUUJAFBAJSIJ-UHFFFAOYSA-N |
| Mol Weight | 372.46 g/mol |
| Molecular Formula | C14H20N4O4S2 |
| Exact Mass | 372.092597 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6mXmuMScIx6 |
|---|---|
| Name | 4-{5-[carboxy(thiocarbamoyl)]-1,2-dimethylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20N4O4S2 |
| InChI | InChI=1S/C14H20N4O4S2/c1-5-21-13(19)16-11(23)10-7-9(8(3)18(10)4)15-12(24)17-14(20)22-6-2/h7H,5-6H2,1-4H3,(H,16,19,23)(H2,15,17,20,24) |
| InChIKey | IANUUJAFBAJSIJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 32181M |
| Solvent | CDCl3 |