| SpectraBase Compound ID | FhTOK4qCD2q |
|---|---|
| InChI | InChI=1S/C12H12N2/c13-12-6-2-1-5-11(12)8-10-4-3-7-14-9-10/h1-7,9H,8,13H2 |
| InChIKey | LFWROEKDZROIEU-UHFFFAOYSA-N |
| Mol Weight | 184.24 g/mol |
| Molecular Formula | C12H12N2 |
| Exact Mass | 184.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2Q5APzj8OKW |
|---|---|
| Name | 2-(3-Pyridinylmethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.100048394 u |
| Formula | C12H12N2 |
| InChI | InChI=1S/C12H12N2/c13-12-6-2-1-5-11(12)8-10-4-3-7-14-9-10/h1-7,9H,8,13H2 |
| InChIKey | LFWROEKDZROIEU-UHFFFAOYSA-N |
| Molecular Weight | 184.242 g/mol |
| SMILES | C=1(CC=2C=NC=CC2)C(N)=CC=CC1 |