| SpectraBase Compound ID | 4rKu6tRQrNe |
|---|---|
| InChI | InChI=1S/C19H19N3/c1-19(2)12-13-7-3-4-8-14(13)17(22-19)11-18-20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3,(H,20,21) |
| InChIKey | UFSQISQPNGCIHG-UHFFFAOYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C19H19N3 |
| Exact Mass | 289.157898 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxbmP0Acp9c |
|---|---|
| Name | 1-(1H-1,3-Benzodiazol-2-ylmethyl)-3,3-dimethyl-4H-isoquinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.157897624 u |
| Formula | C19H19N3 |
| InChI | InChI=1S/C19H19N3/c1-19(2)12-13-7-3-4-8-14(13)17(22-19)11-18-20-15-9-5-6-10-16(15)21-18/h3-10H,11-12H2,1-2H3,(H,20,21) |
| InChIKey | UFSQISQPNGCIHG-UHFFFAOYSA-N |
| SMILES | C(C=1C2=C(CC(C)(C)N1)C=CC=C2)C1=NC2=CC=CC=C2N1 |