| SpectraBase Compound ID | 6IlDuLCpubz |
|---|---|
| InChI | InChI=1S/C18H14N2O2/c1-21-17-9-14-7-8-20-16(11-19)15(14)10-18(17)22-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3 |
| InChIKey | OSBXRKKQXZDJOA-UHFFFAOYSA-N |
| Mol Weight | 290.32 g/mol |
| Molecular Formula | C18H14N2O2 |
| Exact Mass | 290.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3ptACd9U1t |
|---|---|
| Name | 6-Methoxy-7-phenylmethoxy-1-isoquinolinecarbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.105527697 u |
| Formula | C18H14N2O2 |
| InChI | InChI=1S/C18H14N2O2/c1-21-17-9-14-7-8-20-16(11-19)15(14)10-18(17)22-12-13-5-3-2-4-6-13/h2-10H,12H2,1H3 |
| InChIKey | OSBXRKKQXZDJOA-UHFFFAOYSA-N |
| SMILES | C1(=NC=CC=2C=C(C(=CC12)OCC=1C=CC=CC1)OC)C#N |