| SpectraBase Compound ID | IX9ZUK5jX2Q |
|---|---|
| InChI | InChI=1S/C16H15NO/c1-12-6-8-15(9-7-12)17-11-14-5-3-2-4-13(14)10-16(17)18/h2-9H,10-11H2,1H3 |
| InChIKey | FBTDRTQROCPGOX-UHFFFAOYSA-N |
| Mol Weight | 237.3 g/mol |
| Molecular Formula | C16H15NO |
| Exact Mass | 237.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ewiq4laoKwY |
|---|---|
| Name | 2-(4-Methylphenyl)-1,4-dihydroisoquinolin-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.115364106 u |
| Formula | C16H15NO |
| InChI | InChI=1S/C16H15NO/c1-12-6-8-15(9-7-12)17-11-14-5-3-2-4-13(14)10-16(17)18/h2-9H,10-11H2,1H3 |
| InChIKey | FBTDRTQROCPGOX-UHFFFAOYSA-N |
| Molecular Weight | 237.302 g/mol |
| SMILES | C1(N(CC2=C(C1)C=CC=C2)C=1C=CC(=CC1)C)=O |