| SpectraBase Compound ID | BUOYa3dCxUl |
|---|---|
| InChI | InChI=1S/C16H13N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h2-11H,1H3 |
| InChIKey | PCVCHIVLKSOTJT-UHFFFAOYSA-N |
| Mol Weight | 219.29 g/mol |
| Molecular Formula | C16H13N |
| Exact Mass | 219.104799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JA1kPyqjbC6 |
|---|---|
| Name | Isoquinoline, 1-(2-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.104799423 u |
| Formula | C16H13N |
| InChI | InChI=1S/C16H13N/c1-12-6-2-4-8-14(12)16-15-9-5-3-7-13(15)10-11-17-16/h2-11H,1H3 |
| InChIKey | PCVCHIVLKSOTJT-UHFFFAOYSA-N |
| Molecular Weight | 219.287 g/mol |
| SMILES | C1(C2=C(C)C=CC=C2)=C2C(C=CC=C2)=CC=N1 |