![alpha-[(o-Methoxyphenoxy)methyl]-2-methyl-5-nitroimidazole-1-ethanol](/api/spectrum/E4a2KvDSP6X/structure.png?h=300&w=458 "alpha-[(o-Methoxyphenoxy)methyl]-2-methyl-5-nitroimidazole-1-ethanol")
| SpectraBase Compound ID | 8Hi0oWDM4pF |
|---|---|
| InChI | InChI=1S/C14H17N3O5/c1-10-15-7-14(17(19)20)16(10)8-11(18)9-22-13-6-4-3-5-12(13)21-2/h3-7,11,18H,8-9H2,1-2H3 |
| InChIKey | FRACJGCTJMGRBF-UHFFFAOYSA-N |
| Mol Weight | 307.31 g/mol |
| Molecular Formula | C14H17N3O5 |
| Exact Mass | 307.116821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4a2KvDSP6X |
|---|---|
| Name | alpha-[(o-Methoxyphenoxy)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 | 307.116820654 u |
| Formula | C14H17N3O5 |
| InChI | InChI=1S/C14H17N3O5/c1-10-15-7-14(17(19)20)16(10)8-11(18)9-22-13-6-4-3-5-12(13)21-2/h3-7,11,18H,8-9H2,1-2H3 |
| InChIKey | FRACJGCTJMGRBF-UHFFFAOYSA-N |
| Molecular Weight | 307.306 g/mol |
| SMILES | OC(CN1C(=NC=C1N(=O)=O)C)COC=1C=CC=CC1OC |