| SpectraBase Compound ID | EdVb9cnWbz3 |
|---|---|
| InChI | InChI=1S/C12H12N2O4/c1-8-6-11(18-13-8)7-12(15)9-2-4-10(5-3-9)14(16)17/h2-6,12,15H,7H2,1H3 |
| InChIKey | AECJXJNIBOGGGT-UHFFFAOYSA-N |
| Mol Weight | 248.24 g/mol |
| Molecular Formula | C12H12N2O4 |
| Exact Mass | 248.079707 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBGI7oiz8nQ |
|---|---|
| Name | 2-(3-Methyl-1,2-oxazol-5-yl)-1-(4-nitrophenyl)ethanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.079706870 u |
| Formula | C12H12N2O4 |
| InChI | InChI=1S/C12H12N2O4/c1-8-6-11(18-13-8)7-12(15)9-2-4-10(5-3-9)14(16)17/h2-6,12,15H,7H2,1H3 |
| InChIKey | AECJXJNIBOGGGT-UHFFFAOYSA-N |
| Molecular Weight | 248.238 g/mol |
| SMILES | C1(N(=O)=O)=CC=C(C(CC=2ON=C(C2)C)O)C=C1 |