| SpectraBase Compound ID | D5p1lCtxmq5 |
|---|---|
| InChI | InChI=1S/C16H12FNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2 |
| InChIKey | LBKCHCHTSRLQMS-UHFFFAOYSA-N |
| Mol Weight | 253.28 g/mol |
| Molecular Formula | C16H12FNO |
| Exact Mass | 253.090292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRKzg56eJgf |
|---|---|
| Name | 2-(4-Fluorobenzyl)isoquinolin-1(2H)-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.090292172 u |
| Formula | C16H12FNO |
| InChI | InChI=1S/C16H12FNO/c17-14-7-5-12(6-8-14)11-18-10-9-13-3-1-2-4-15(13)16(18)19/h1-10H,11H2 |
| InChIKey | LBKCHCHTSRLQMS-UHFFFAOYSA-N |
| Molecular Weight | 253.276 g/mol |
| SMILES | C1(N(C=CC=2C=CC=CC12)CC=1C=CC(=CC1)F)=O |