| SpectraBase Compound ID | BkFkGhUnNQ4 |
|---|---|
| InChI | InChI=1S/C13H12N2O3/c1-8-3-5-9(6-4-8)12(16)10-11(13(17)18-2)15-7-14-10/h3-7H,1-2H3,(H,14,15) |
| InChIKey | RSSXIXINPUNVNY-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C13H12N2O3 |
| Exact Mass | 244.084792 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 55CEJGVGrWx |
|---|---|
| Name | 5-(4-Methyl-benzoyl)-3H-imidazole-4-carboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.084792251 u |
| Formula | C13H12N2O3 |
| InChI | InChI=1S/C13H12N2O3/c1-8-3-5-9(6-4-8)12(16)10-11(13(17)18-2)15-7-14-10/h3-7H,1-2H3,(H,14,15) |
| InChIKey | RSSXIXINPUNVNY-UHFFFAOYSA-N |
| Molecular Weight | 244.250 g/mol |
| SMILES | C1(=C(C(=O)OC)NC=N1)C(C1=CC=C(C=C1)C)=O |