| SpectraBase Compound ID | IU6EFnwYxdi |
|---|---|
| InChI | InChI=1S/C12H12N2O2/c1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey | HBYBRUUHYIMKRQ-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C12H12N2O2 |
| Exact Mass | 216.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EU1c8EoHsmZ |
|---|---|
| Name | Methyl 1-benzyl-1H-imidazole-4-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.089877632 u |
| Formula | C12H12N2O2 |
| InChI | InChI=1S/C12H12N2O2/c1-16-12(15)11-8-14(9-13-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey | HBYBRUUHYIMKRQ-UHFFFAOYSA-N |
| Molecular Weight | 216.240 g/mol |
| SMILES | C1=NC(=CN1CC=1C=CC=CC1)C(=O)OC |