| SpectraBase Compound ID | FZNpndqA5iS |
|---|---|
| InChI | InChI=1S/C13H13N/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h2-9H,10H2,1H3 |
| InChIKey | KQWOTOQKVKJPBZ-UHFFFAOYSA-N |
| Mol Weight | 183.25 g/mol |
| Molecular Formula | C13H13N |
| Exact Mass | 183.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LavqsqnhlEQ |
|---|---|
| Name | 2-(4-Methylbenzyl)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 183.104799423 u |
| Formula | C13H13N |
| InChI | InChI=1S/C13H13N/c1-11-5-7-12(8-6-11)10-13-4-2-3-9-14-13/h2-9H,10H2,1H3 |
| InChIKey | KQWOTOQKVKJPBZ-UHFFFAOYSA-N |
| Molecular Weight | 183.254 g/mol |
| SMILES | C1(=NC=CC=C1)CC=1C=CC(=CC1)C |