| SpectraBase Compound ID | 39JksKwpPuT |
|---|---|
| InChI | InChI=1S/C15H12FNO/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)18/h1-8H,9-10H2 |
| InChIKey | AGZATTOYRPABHU-UHFFFAOYSA-N |
| Mol Weight | 241.27 g/mol |
| Molecular Formula | C15H12FNO |
| Exact Mass | 241.090292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EdGuPkZcdXY |
|---|---|
| Name | 2-(4-Fluorophenyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.090292172 u |
| Formula | C15H12FNO |
| InChI | InChI=1S/C15H12FNO/c16-12-5-7-13(8-6-12)17-10-9-11-3-1-2-4-14(11)15(17)18/h1-8H,9-10H2 |
| InChIKey | AGZATTOYRPABHU-UHFFFAOYSA-N |
| Molecular Weight | 241.265 g/mol |
| SMILES | C1(N(CCC=2C=CC=CC12)C=1C=CC(=CC1)F)=O |