| SpectraBase Compound ID | JHaD8kViFDf |
|---|---|
| InChI | InChI=1S/C16H14INO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2 |
| InChIKey | LZJBDGGWCGAULN-UHFFFAOYSA-N |
| Mol Weight | 363.2 g/mol |
| Molecular Formula | C16H14INO |
| Exact Mass | 363.012009 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1coSdkuuhfo |
|---|---|
| Name | (3,4-Dihydro-1H-isoquinolin-2-yl)-(2-iodo-phenyl)-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.012009074 u |
| Formula | C16H14INO |
| InChI | InChI=1S/C16H14INO/c17-15-8-4-3-7-14(15)16(19)18-10-9-12-5-1-2-6-13(12)11-18/h1-8H,9-11H2 |
| InChIKey | LZJBDGGWCGAULN-UHFFFAOYSA-N |
| Molecular Weight | 363.198 g/mol |
| SMILES | C12=C(CCN(C2)C(C2=C(C=CC=C2)I)=O)C=CC=C1 |