| SpectraBase Compound ID | H6cI4rU6OTO |
|---|---|
| InChI | InChI=1S/C17H15NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h2-11H,12H2,1H3 |
| InChIKey | BYWUJWHEAQYATL-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C17H15NO |
| Exact Mass | 249.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | dYrKzT8TNu |
|---|---|
| Name | 1-(4-Methoxybenzyl)isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.115364106 u |
| Formula | C17H15NO |
| InChI | InChI=1S/C17H15NO/c1-19-15-8-6-13(7-9-15)12-17-16-5-3-2-4-14(16)10-11-18-17/h2-11H,12H2,1H3 |
| InChIKey | BYWUJWHEAQYATL-UHFFFAOYSA-N |
| Molecular Weight | 249.313 g/mol |
| SMILES | COC1=CC=C(C=C1)CC1=NC=CC2=C1C=CC=C2 |