| SpectraBase Compound ID | ArOrFXNYlf3 |
|---|---|
| InChI | InChI=1S/C21H15NS/c1-3-9-16(10-4-1)20-21(23-18-12-5-2-6-13-18)19-14-8-7-11-17(19)15-22-20/h1-15H |
| InChIKey | FGGFECWXXOMPIH-UHFFFAOYSA-N |
| Mol Weight | 313.42 g/mol |
| Molecular Formula | C21H15NS |
| Exact Mass | 313.092521 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1mqakwFHjIw |
|---|---|
| Name | 3-Phenyl-4-(phenylthio)isoquinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H15NS |
| InChI | InChI=1S/C21H15NS/c1-3-9-16(10-4-1)20-21(23-18-12-5-2-6-13-18)19-14-8-7-11-17(19)15-22-20/h1-15H |
| InChIKey | FGGFECWXXOMPIH-UHFFFAOYSA-N |
| Molecular Weight | 313.418 g/mol |
| SMILES | c1(c(ncc2c1cccc2)-c1ccccc1)Sc1ccccc1 |
| SPLASH | splash10-01p9-0096000000-8b902e915ba0f7360c50 |
| Source of Spectrum | F4-43-1223-3 |
| Wiley ID | 1675555 |