| SpectraBase Compound ID | KsbED7PywuR |
|---|---|
| InChI | InChI=1S/C14H15N3O4/c1-21-12-4-2-3-11(9-12)5-6-13-15-10-14(17(19)20)16(13)7-8-18/h2-6,9-10,18H,7-8H2,1H3 |
| InChIKey | WBHLBULNUPMEDL-UHFFFAOYSA-N |
| Mol Weight | 289.29 g/mol |
| Molecular Formula | C14H15N3O4 |
| Exact Mass | 289.106256 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1HUWHT9Crgs |
|---|---|
| Name | 2-(m-Methoxystyryl)-5-nitroimidazole-1-ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.106255971 u |
| Formula | C14H15N3O4 |
| InChI | InChI=1S/C14H15N3O4/c1-21-12-4-2-3-11(9-12)5-6-13-15-10-14(17(19)20)16(13)7-8-18/h2-6,9-10,18H,7-8H2,1H3 |
| InChIKey | WBHLBULNUPMEDL-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C1=CN=C(N1CCO)C=CC1=CC=CC(=C1)OC |