| SpectraBase Compound ID | BZBXaVieuh0 |
|---|---|
| InChI | InChI=1S/C18H17NO2/c1-13-16-11-17(20-2)18(10-15(16)8-9-19-13)21-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3 |
| InChIKey | RQLQGNTUAGRMMS-UHFFFAOYSA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C18H17NO2 |
| Exact Mass | 279.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 50L6mxHowsz |
|---|---|
| Name | Isoquinoline, 6-benzyloxy-7-methoxy-1-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.125928789 u |
| Formula | C18H17NO2 |
| InChI | InChI=1S/C18H17NO2/c1-13-16-11-17(20-2)18(10-15(16)8-9-19-13)21-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3 |
| InChIKey | RQLQGNTUAGRMMS-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC(=C(C2)OC)OCC2=CC=CC=C2)C=CN=C1C |