| SpectraBase Compound ID | FyPzgYK9QAE |
|---|---|
| InChI | InChI=1S/C14H21N3O6/c1-3-8-22-13(18)5-4-6-14(19)23-9-7-16-11(2)15-10-12(16)17(20)21/h10H,3-9H2,1-2H3 |
| InChIKey | KBNYUJHUCSTWRS-UHFFFAOYSA-N |
| Mol Weight | 327.34 g/mol |
| Molecular Formula | C14H21N3O6 |
| Exact Mass | 327.143035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AUE5PUadkwD |
|---|---|
| Name | Glutaric acid, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.143035402 u |
| Formula | C14H21N3O6 |
| InChI | InChI=1S/C14H21N3O6/c1-3-8-22-13(18)5-4-6-14(19)23-9-7-16-11(2)15-10-12(16)17(20)21/h10H,3-9H2,1-2H3 |
| InChIKey | KBNYUJHUCSTWRS-UHFFFAOYSA-N |
| Molecular Weight | 327.337 g/mol |
| SMILES | C(COC(=O)CCCC(OCCN1C(C)=NC=C1N(=O)=O)=O)C |