![4-{2-[carboxy)thiocarbamoyl)]-1-methylpyrrol-3-yl}-3-thioallophanic acid, diethyl ester](/api/spectrum/6N6iuQ6Sbyb/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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6N6iuQ6Sbyb |
|---|---|
| Name | 3-(3-ETHOXYCARBONYLTHIOUREIDO)-1-METHYLPYRROL-2-(N-ETHOXYCARBONYL)-THIOCARBOXAMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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 |
| Literature Reference Author | L.GREHN |
| Literature Reference Citation | CHEM.SCRIPTA,13,78(1978) |
| Molecular Weight | 358.430 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UNIW20663 |