| SpectraBase Compound ID | 7wIcI4fCxWJ |
|---|---|
| InChI | InChI=1S/C21H17NO2/c1-15-11-14-20(24-15)19-13-12-16-7-5-6-10-18(16)22(19)21(23)17-8-3-2-4-9-17/h2-14,19H,1H3 |
| InChIKey | OHGWLPWGZTZUKB-UHFFFAOYSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C21H17NO2 |
| Exact Mass | 315.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8qQoare1jLj |
|---|---|
| Name | 1-Benzoyl-2-(5-methylfuran-2-yl)-1(2H)-isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.125928789 u |
| Formula | C21H17NO2 |
| InChI | InChI=1S/C21H17NO2/c1-15-11-14-20(24-15)19-13-12-16-7-5-6-10-18(16)22(19)21(23)17-8-3-2-4-9-17/h2-14,19H,1H3 |
| InChIKey | OHGWLPWGZTZUKB-UHFFFAOYSA-N |
| SMILES | C12=CC=CC=C2C=CC(N1C(=O)C1=CC=CC=C1)C1=CC=C(O1)C |