| SpectraBase Compound ID | 11oIRk5wrei |
|---|---|
| InChI | InChI=1S/C18H20N2O3/c1-12(21)20-8-6-13-9-16(22-2)17(23-3)10-15(13)18(20)14-5-4-7-19-11-14/h4-5,7,9-11,18H,6,8H2,1-3H3 |
| InChIKey | UWBKLOOWYKPXEL-UHFFFAOYSA-N |
| Mol Weight | 312.37 g/mol |
| Molecular Formula | C18H20N2O3 |
| Exact Mass | 312.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2CmrZqkIAUH |
|---|---|
| Name | Isoquinoline, 1,2,3,4-tetrahydro-2-acetyl-6,7-dimethoxy-1-(3-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.147392509 u |
| Formula | C18H20N2O3 |
| InChI | InChI=1S/C18H20N2O3/c1-12(21)20-8-6-13-9-16(22-2)17(23-3)10-15(13)18(20)14-5-4-7-19-11-14/h4-5,7,9-11,18H,6,8H2,1-3H3 |
| InChIKey | UWBKLOOWYKPXEL-UHFFFAOYSA-N |
| SMILES | C1C2=C(C=C(C(=C2)OC)OC)C(N(C1)C(C)=O)C1=CC=CN=C1 |