![alpha-[(o-Chlorophenoxy)methyl]-2-methyl-5-nitroimidazole-1-ethanol](/api/spectrum/GTajRFJ4QaW/structure.png?h=300&w=458 "alpha-[(o-Chlorophenoxy)methyl]-2-methyl-5-nitroimidazole-1-ethanol")
| SpectraBase Compound ID | 1TVEGVB8QGi |
|---|---|
| InChI | InChI=1S/C13H14ClN3O4/c1-9-15-6-13(17(19)20)16(9)7-10(18)8-21-12-5-3-2-4-11(12)14/h2-6,10,18H,7-8H2,1H3 |
| InChIKey | CDFROTFNDVMNHA-UHFFFAOYSA-N |
| Mol Weight | 311.73 g/mol |
| Molecular Formula | C13H14ClN3O4 |
| Exact Mass | 311.067284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTajRFJ4QaW |
|---|---|
| Name | alpha-[(o-Chlorophenoxy)methyl]-2-methyl-5-nitroimidazole-1-ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.067283639 u |
| Formula | C13H14ClN3O4 |
| InChI | InChI=1S/C13H14ClN3O4/c1-9-15-6-13(17(19)20)16(9)7-10(18)8-21-12-5-3-2-4-11(12)14/h2-6,10,18H,7-8H2,1H3 |
| InChIKey | CDFROTFNDVMNHA-UHFFFAOYSA-N |
| SMILES | OC(CN1C(=NC=C1N(=O)=O)C)COC=1C=CC=CC1Cl |