| SpectraBase Compound ID | DmuZEVmglNN |
|---|---|
| InChI | InChI=1S/C8H6ClN3O2/c1-11-7-3-2-5(12(13)14)4-6(7)10-8(11)9/h2-4H,1H3 |
| InChIKey | QNYFEUMEQHKASR-UHFFFAOYSA-N |
| Mol Weight | 211.61 g/mol |
| Molecular Formula | C8H6ClN3O2 |
| Exact Mass | 211.014854 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Be7VOX8KlH0 |
|---|---|
| Name | 1-Methyl-2-chloro-5-nitro-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.014854143 u |
| Formula | C8H6ClN3O2 |
| InChI | InChI=1S/C8H6ClN3O2/c1-11-7-3-2-5(12(13)14)4-6(7)10-8(11)9/h2-4H,1H3 |
| InChIKey | QNYFEUMEQHKASR-UHFFFAOYSA-N |
| Molecular Weight | 211.608 g/mol |
| SMILES | C1(=NC2=CC(N(=O)=O)=CC=C2N1C)Cl |