| SpectraBase Compound ID | 9IDhJtRS5Sj |
|---|---|
| InChI | InChI=1S/C17H13N3/c1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15/h2-11H,1H3 |
| InChIKey | COJMTDLHRRWGJL-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C17H13N3 |
| Exact Mass | 259.110947 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4KImOt1d55 |
|---|---|
| Name | 1-Methyl-2-(quinoxolin-3-yl)benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.110947431 u |
| Formula | C17H13N3 |
| InChI | InChI=1S/C17H13N3/c1-20-16-9-5-4-8-14(16)19-17(20)15-10-12-6-2-3-7-13(12)11-18-15/h2-11H,1H3 |
| InChIKey | COJMTDLHRRWGJL-UHFFFAOYSA-N |
| Molecular Weight | 259.312 g/mol |
| SMILES | C=1(N(C2=CC=CC=C2N1)C)C1=NC=C2C(=C1)C=CC=C2 |