![4-Nitro-1-[(S)-1-phenylethyl]-1H-imidazole](/api/spectrum/2t7yLU9JhBI/structure.png?h=300&w=458 "4-Nitro-1-[(S)-1-phenylethyl]-1H-imidazole")
| SpectraBase Compound ID | 3CTq4G86zUJ |
|---|---|
| InChI | InChI=1S/C11H11N3O2/c1-9(10-5-3-2-4-6-10)13-7-11(12-8-13)14(15)16/h2-9H,1H3/t9-/m0/s1 |
| InChIKey | KAFYAPOJHACYIU-VIFPVBQESA-N |
| Mol Weight | 217.23 g/mol |
| Molecular Formula | C11H11N3O2 |
| Exact Mass | 217.085127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2t7yLU9JhBI |
|---|---|
| Name | 4-Nitro-1-[(S)-1-phenylethyl]-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.085126604 u |
| Formula | C11H11N3O2 |
| InChI | InChI=1S/C11H11N3O2/c1-9(10-5-3-2-4-6-10)13-7-11(12-8-13)14(15)16/h2-9H,1H3/t9-/m0/s1 |
| InChIKey | KAFYAPOJHACYIU-VIFPVBQESA-N |
| Molecular Weight | 217.228 g/mol |
| SMILES | C=1(N=CN(C1)[C@](C=1C=CC=CC1)(C)[H])N(=O)=O |