| SpectraBase Compound ID | JFq81Cy5J6S |
|---|---|
| InChI | InChI=1S/C12H13N3O2/c1-9(11-6-4-3-5-7-11)14-8-12(15(16)17)13-10(14)2/h3-9H,1-2H3 |
| InChIKey | KPOSKRYXRWOZFZ-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C12H13N3O2 |
| Exact Mass | 231.100777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LqnLFRaLQ5 |
|---|---|
| Name | 2-Methyl-4-nitro-1-(1'-PHENYLETHYL0-1H-imidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.100776669 u |
| Formula | C12H13N3O2 |
| InChI | InChI=1S/C12H13N3O2/c1-9(11-6-4-3-5-7-11)14-8-12(15(16)17)13-10(14)2/h3-9H,1-2H3 |
| InChIKey | KPOSKRYXRWOZFZ-UHFFFAOYSA-N |
| Molecular Weight | 231.255 g/mol |
| SMILES | C=1(N=C(C)N(C1)C(C1=CC=CC=C1)C)N(=O)=O |