| SpectraBase Compound ID | CkQnqVFnwRJ |
|---|---|
| InChI | InChI=1S/C22H17NS/c1-16-11-13-19(14-12-16)24-22-20-10-6-5-9-18(20)15-23-21(22)17-7-3-2-4-8-17/h2-15H,1H3 |
| InChIKey | TYVKQCNXLMMWFM-UHFFFAOYSA-N |
| Mol Weight | 327.45 g/mol |
| Molecular Formula | C22H17NS |
| Exact Mass | 327.108171 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D9bNWqn3OhU |
|---|---|
| Name | 3-Phenyl-4-(p-tolythio)isoquinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H17NS |
| InChI | InChI=1S/C22H17NS/c1-16-11-13-19(14-12-16)24-22-20-10-6-5-9-18(20)15-23-21(22)17-7-3-2-4-8-17/h2-15H,1H3 |
| InChIKey | TYVKQCNXLMMWFM-UHFFFAOYSA-N |
| Molecular Weight | 327.445 g/mol |
| SMILES | c1(c(ncc2c1cccc2)-c1ccccc1)Sc1ccc(cc1)C |
| SPLASH | splash10-004r-0097000000-325a9e743e3f5ca64831 |
| Source of Spectrum | F4-43-1223-4 |
| Wiley ID | 1675554 |