![[(3-amino-1-methyl-4-nitropyrrol-2-yl)thiocarbonyl]carbamic acid, ethyl ester](/api/spectrum/1tMHDHUX6QB/structure.png?h=300&w=458 "[(3-amino-1-methyl-4-nitropyrrol-2-yl)thiocarbonyl]carbamic acid, ethyl ester")
| SpectraBase Compound ID | DnTmal1pfOE |
|---|---|
| InChI | InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)7-6(10)5(13(15)16)4-12(7)2/h4H,3,10H2,1-2H3,(H,11,14,18) |
| InChIKey | ZXKKGSYVVCFJNK-UHFFFAOYSA-N |
| Mol Weight | 272.28 g/mol |
| Molecular Formula | C9H12N4O4S |
| Exact Mass | 272.057926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1tMHDHUX6QB |
|---|---|
| Name | 3-AMINO-1-METHYL-4-NITROPYRROL-2-(N-ETHOXYCARBONYL)-THIOCARBOXAMIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C9H12N4O4S |
| InChI | InChI=1S/C9H12N4O4S/c1-3-17-9(14)11-8(18)7-6(10)5(13(15)16)4-12(7)2/h4H,3,10H2,1-2H3,(H,11,14,18) |
| InChIKey | ZXKKGSYVVCFJNK-UHFFFAOYSA-N |
| Literature Reference Author | L.GREHN |
| Literature Reference Citation | CHEM.SCRIPTA,13,78(1978) |
| Molecular Weight | 272.279 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UNIW20673 |