| SpectraBase Compound ID | ARf36u09Gaw |
|---|---|
| InChI | InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18) |
| InChIKey | BQKABMCVWCSTJU-UHFFFAOYSA-N |
| Mol Weight | 272.28 g/mol |
| Molecular Formula | C9H12N4O4S |
| Exact Mass | 272.057926 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fq1zNwil9ex |
|---|---|
| Name | 4-(1-methyl-4-nitropyrrol-2-yl)-3-thioallophanic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12N4O4S |
| InChI | InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)10-7-4-6(13(15)16)5-12(7)2/h4-5H,3H2,1-2H3,(H2,10,11,14,18) |
| InChIKey | BQKABMCVWCSTJU-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 32173M |
| Solvent | CDCl3 |