| SpectraBase Compound ID | JHC9MtlDabS |
|---|---|
| InChI | InChI=1S/C17H13NO/c1-12-11-14-9-5-6-10-15(14)16(18-12)17(19)13-7-3-2-4-8-13/h2-11H,1H3 |
| InChIKey | WQUITOVMXGKZIH-UHFFFAOYSA-N |
| Mol Weight | 247.3 g/mol |
| Molecular Formula | C17H13NO |
| Exact Mass | 247.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbIsjwShrWV |
|---|---|
| Name | 1-Benzoyl-3-methylisoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.099714042 u |
| Formula | C17H13NO |
| InChI | InChI=1S/C17H13NO/c1-12-11-14-9-5-6-10-15(14)16(18-12)17(19)13-7-3-2-4-8-13/h2-11H,1H3 |
| InChIKey | WQUITOVMXGKZIH-UHFFFAOYSA-N |
| Molecular Weight | 247.297 g/mol |
| SMILES | C1(=NC(C)=CC2=C1C=CC=C2)C(=O)C1=CC=CC=C1 |