![Isoquinoline, 4-[(2-methoxyphenyl)methyl]-](/api/spectrum/7dNwMLA5XbN/structure.png?h=300&w=458 "Isoquinoline, 4-[(2-methoxyphenyl)methyl]-")
| SpectraBase Compound ID | GLhz3Ft67Vd |
|---|---|
| InChI | InChI=1S/C17H15NO/c1-19-17-9-5-3-6-13(17)10-15-12-18-11-14-7-2-4-8-16(14)15/h2-9,11-12H,10H2,1H3 |
| InChIKey | CGFDRYKJHJAHHG-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 | 7dNwMLA5XbN |
|---|---|
| Name | Isoquinoline, 4-[(2-methoxyphenyl)methyl]- |
| 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/c1-19-17-9-5-3-6-13(17)10-15-12-18-11-14-7-2-4-8-16(14)15/h2-9,11-12H,10H2,1H3 |
| InChIKey | CGFDRYKJHJAHHG-UHFFFAOYSA-N |
| Molecular Weight | 249.313 g/mol |
| SMILES | C=1(CC=2C(OC)=CC=CC2)C2=C(C=CC=C2)C=NC1 |