![4-{2-[carboxy)thiocarbamoyl)]-1-methylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester](/api/spectrum/Bc0Fg46Hv7s/structure.png?h=300&w=458 "4-{2-[carboxy)thiocarbamoyl)]-1-methylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester")
| SpectraBase Compound ID | LdRoMskatc4 |
|---|---|
| InChI | InChI=1S/C13H18N4O4S2/c1-4-20-12(18)15-10(22)9-8(6-7-17(9)3)14-11(23)16-13(19)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,18,22)(H2,14,16,19,23) |
| InChIKey | NSPPKQCHKKRWNE-UHFFFAOYSA-N |
| Mol Weight | 358.43 g/mol |
| Molecular Formula | C13H18N4O4S2 |
| Exact Mass | 358.076947 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bc0Fg46Hv7s |
|---|---|
| Name | 4-{2-[carboxy)thiocarbamoyl)]-1-methylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18N4O4S2 |
| InChI | InChI=1S/C13H18N4O4S2/c1-4-20-12(18)15-10(22)9-8(6-7-17(9)3)14-11(23)16-13(19)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,18,22)(H2,14,16,19,23) |
| InChIKey | NSPPKQCHKKRWNE-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 32180M |
| Solvent | CDCl3 |