![2-[(3'-Methylisoquinolin-1'-yl)methyl]-benzonitrile](/api/spectrum/9VAZ9FIl7uS/structure.png?h=300&w=458 "2-[(3'-Methylisoquinolin-1'-yl)methyl]-benzonitrile")
| SpectraBase Compound ID | 6OZ5gJ2K1wm |
|---|---|
| InChI | InChI=1S/C18H14N2/c1-13-10-15-7-4-5-9-17(15)18(20-13)11-14-6-2-3-8-16(14)12-19/h2-10H,11H2,1H3 |
| InChIKey | SNLUMSYUKFHANA-UHFFFAOYSA-N |
| Mol Weight | 258.32 g/mol |
| Molecular Formula | C18H14N2 |
| Exact Mass | 258.115698 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9VAZ9FIl7uS |
|---|---|
| Name | 2-[(3'-Methylisoquinolin-1'-yl)methyl]-benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H14N2 |
| InChI | InChI=1S/C18H14N2/c1-13-10-15-7-4-5-9-17(15)18(20-13)11-14-6-2-3-8-16(14)12-19/h2-10H,11H2,1H3 |
| InChIKey | SNLUMSYUKFHANA-UHFFFAOYSA-N |
| Molecular Weight | 258.324 g/mol |
| SMILES | c1(nc(C)cc2c1cccc2)Cc1c(C#N)cccc1 |
| SPLASH | splash10-0a4i-0290000000-ae8cbfdf0c58ff348b79 |
| Source of Spectrum | AH-139-683-18a |
| Wiley ID | 1695715 |