| SpectraBase Compound ID | DIUecQFmAap |
|---|---|
| InChI | InChI=1S/C16H12BrN/c1-11-10-16(12-6-8-13(17)9-7-12)18-15-5-3-2-4-14(11)15/h2-10H,1H3 |
| InChIKey | WUVBOPSHRRBXIF-UHFFFAOYSA-N |
| Mol Weight | 298.18 g/mol |
| Molecular Formula | C16H12BrN |
| Exact Mass | 297.015312 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LtGP7N0zHxc |
|---|---|
| Name | 2-(4-Bromophenyl)-4-methyl-quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.015312390 u |
| Formula | C16H12BrN |
| InChI | InChI=1S/C16H12BrN/c1-11-10-16(12-6-8-13(17)9-7-12)18-15-5-3-2-4-14(11)15/h2-10H,1H3 |
| InChIKey | WUVBOPSHRRBXIF-UHFFFAOYSA-N |
| Molecular Weight | 298.183 g/mol |
| SMILES | C1(=NC2=CC=CC=C2C(=C1)C)C=1C=CC(=CC1)Br |