| SpectraBase Compound ID | EDqDxM4MUNb |
|---|---|
| InChI | InChI=1S/C13H19N3O6/c1-3-21-12(17)5-4-6-13(18)22-8-7-15-10(2)14-9-11(15)16(19)20/h9H,3-8H2,1-2H3 |
| InChIKey | BYDJMZVFSGRQLA-UHFFFAOYSA-N |
| Mol Weight | 313.31 g/mol |
| Molecular Formula | C13H19N3O6 |
| Exact Mass | 313.127385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46g64h0Dxpj |
|---|---|
| Name | Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.127385338 u |
| Formula | C13H19N3O6 |
| InChI | InChI=1S/C13H19N3O6/c1-3-21-12(17)5-4-6-13(18)22-8-7-15-10(2)14-9-11(15)16(19)20/h9H,3-8H2,1-2H3 |
| InChIKey | BYDJMZVFSGRQLA-UHFFFAOYSA-N |
| Molecular Weight | 313.310 g/mol |
| SMILES | CCOC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O |