![6-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline](/api/spectrum/8U2fNDI4ElY/structure.png?h=300&w=458 "6-[(E)-2-(4-methoxyphenyl)ethenyl]isoquinoline")
| SpectraBase Compound ID | 9w0VQr3rDXF |
|---|---|
| InChI | InChI=1S/C18H15NO/c1-20-18-8-5-14(6-9-18)2-3-15-4-7-17-13-19-11-10-16(17)12-15/h2-13H,1H3/b3-2+ |
| InChIKey | FQXUKVGDWSUJRU-NSCUHMNNSA-N |
| Mol Weight | 261.32 g/mol |
| Molecular Formula | C18H15NO |
| Exact Mass | 261.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8U2fNDI4ElY |
|---|---|
| Name | 6-[(E)-2-(4-Methoxyphenyl)ethenyl]isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.115364106 u |
| Formula | C18H15NO |
| InChI | InChI=1S/C18H15NO/c1-20-18-8-5-14(6-9-18)2-3-15-4-7-17-13-19-11-10-16(17)12-15/h2-13H,1H3/b3-2+ |
| InChIKey | FQXUKVGDWSUJRU-NSCUHMNNSA-N |
| Molecular Weight | 261.324 g/mol |
| SMILES | C=1(\C=C\C2=CC=3C=CN=CC3C=C2)C=CC(=CC1)OC |