| SpectraBase Compound ID | Dm64LKglEbA |
|---|---|
| InChI | InChI=1S/C20H18N2/c1-13-7-8-14(2)15(11-13)12-19-20-17(9-10-21-19)16-5-3-4-6-18(16)22-20/h3-11,22H,12H2,1-2H3 |
| InChIKey | OQWVHEMZPHGQOL-UHFFFAOYSA-N |
| Mol Weight | 286.38 g/mol |
| Molecular Formula | C20H18N2 |
| Exact Mass | 286.146999 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1MsLq7ZKsgt |
|---|---|
| Name | 1-(2',5'-Dimethylbenzyl)-.beta.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.146998588 u |
| Formula | C20H18N2 |
| InChI | InChI=1S/C20H18N2/c1-13-7-8-14(2)15(11-13)12-19-20-17(9-10-21-19)16-5-3-4-6-18(16)22-20/h3-11,22H,12H2,1-2H3 |
| InChIKey | OQWVHEMZPHGQOL-UHFFFAOYSA-N |
| SMILES | C1=2NC3=C(C2C=CN=C1CC=1C(=CC=C(C1)C)C)C=CC=C3 |