![[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, methyl ester](/api/spectrum/9QQjYhKPCHS/structure.png?h=300&w=458 "[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, methyl ester")
| SpectraBase Compound ID | 9sTwIM1NpU4 |
|---|---|
| InChI | InChI=1S/C8H12N4O4/c1-6-10-5-7(12(14)15)11(6)4-3-9-8(13)16-2/h5H,3-4H2,1-2H3,(H,9,13) |
| InChIKey | MEBCWZZVDBDXJT-UHFFFAOYSA-N |
| Mol Weight | 228.21 g/mol |
| Molecular Formula | C8H12N4O4 |
| Exact Mass | 228.085855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QQjYhKPCHS |
|---|---|
| Name | [2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.085854878 u |
| Formula | C8H12N4O4 |
| InChI | InChI=1S/C8H12N4O4/c1-6-10-5-7(12(14)15)11(6)4-3-9-8(13)16-2/h5H,3-4H2,1-2H3,(H,9,13) |
| InChIKey | MEBCWZZVDBDXJT-UHFFFAOYSA-N |
| SMILES | N(CCN1C(=CN=C1C)N(=O)=O)C(OC)=O |