| SpectraBase Compound ID | 1er4ATLmxGX |
|---|---|
| InChI | InChI=1S/C16H11N3/c1-2-6-13-12(5-1)9-17-10-16(13)19-11-18-14-7-3-4-8-15(14)19/h1-11H |
| InChIKey | QEPODGNPKXKUOG-UHFFFAOYSA-N |
| Mol Weight | 245.28 g/mol |
| Molecular Formula | C16H11N3 |
| Exact Mass | 245.095297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FllYZJAJEhN |
|---|---|
| Name | 4-(1H-Benzimidazol-1-yl)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.095297366 u |
| Formula | C16H11N3 |
| InChI | InChI=1S/C16H11N3/c1-2-6-13-12(5-1)9-17-10-16(13)19-11-18-14-7-3-4-8-15(14)19/h1-11H |
| InChIKey | QEPODGNPKXKUOG-UHFFFAOYSA-N |
| Molecular Weight | 245.285 g/mol |
| SMILES | C1=NC=C(C=2C=CC=CC12)N1C=2C(N=C1)=CC=CC2 |