| SpectraBase Compound ID | 4t92RtqH3e7 |
|---|---|
| InChI | InChI=1S/C22H17NS/c1-3-9-17(10-4-1)16-24-22-20-14-8-7-13-19(20)15-23-21(22)18-11-5-2-6-12-18/h1-15H,16H2 |
| InChIKey | MKTZCWNWOKVLCA-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 | K1gzbqX3GCv |
|---|---|
| Name | 4-(Benzylthio)-3-phenylisoquinoline |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H17NS |
| InChI | InChI=1S/C22H17NS/c1-3-9-17(10-4-1)16-24-22-20-14-8-7-13-19(20)15-23-21(22)18-11-5-2-6-12-18/h1-15H,16H2 |
| InChIKey | MKTZCWNWOKVLCA-UHFFFAOYSA-N |
| Molecular Weight | 327.445 g/mol |
| SMILES | c1(c(ncc2c1cccc2)-c1ccccc1)SCc1ccccc1 |
| SPLASH | splash10-0ufr-0097000000-58d74d97a787b960ac8a |
| Source of Spectrum | F4-43-1223-8 |
| Wiley ID | 1675551 |