| SpectraBase Compound ID | 5PdO0K77wYv |
|---|---|
| InChI | InChI=1S/C16H14BrNO/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 | DBXPROSECMKCBQ-UHFFFAOYSA-N |
| Mol Weight | 316.2 g/mol |
| Molecular Formula | C16H14BrNO |
| Exact Mass | 315.025877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IJMYEm8NCys |
|---|---|
| Name | (2-Bromo-phenyl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.025877074 u |
| Formula | C16H14BrNO |
| InChI | InChI=1S/C16H14BrNO/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 | DBXPROSECMKCBQ-UHFFFAOYSA-N |
| Molecular Weight | 316.198 g/mol |
| SMILES | C1(=C(C=CC=C1)C(N1CCC2=CC=CC=C2C1)=O)Br |