![[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, pentyl ester](/api/spectrum/4lt3KlE8w6u/structure.png?h=300&w=458 "[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, pentyl ester")
| SpectraBase Compound ID | B0es2mt0Nq5 |
|---|---|
| InChI | InChI=1S/C12H20N4O4/c1-3-4-5-8-20-12(17)13-6-7-15-10(2)14-9-11(15)16(18)19/h9H,3-8H2,1-2H3,(H,13,17) |
| InChIKey | BNQXHLIZMJSLPB-UHFFFAOYSA-N |
| Mol Weight | 284.32 g/mol |
| Molecular Formula | C12H20N4O4 |
| Exact Mass | 284.148455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lt3KlE8w6u |
|---|---|
| Name | [2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]carbamic acid, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.148455136 u |
| Formula | C12H20N4O4 |
| InChI | InChI=1S/C12H20N4O4/c1-3-4-5-8-20-12(17)13-6-7-15-10(2)14-9-11(15)16(18)19/h9H,3-8H2,1-2H3,(H,13,17) |
| InChIKey | BNQXHLIZMJSLPB-UHFFFAOYSA-N |
| Molecular Weight | 284.316 g/mol |
| SMILES | N(CCN1C(=CN=C1C)N(=O)=O)C(=O)OCCCCC |