| SpectraBase Compound ID | 4zMZqSFueOo |
|---|---|
| InChI | InChI=1S/C37H37N3OS/c1-27-21-23-29(24-22-27)33-26-38-35(39-33)34-20-12-13-25-40(34)36(41)28(2)42-37(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-11,14-19,21-24,26,28,34H,12-13,20,25H2,1-2H3,(H,38,39) |
| InChIKey | WYTJKUJISFLPOA-UHFFFAOYSA-N |
| Mol Weight | 571.8 g/mol |
| Molecular Formula | C37H37N3OS |
| Exact Mass | 571.265734 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GgdebqfwV9k |
|---|---|
| Name | 1-(2-(5-(p-tolyl)imidazol-2-yl)piperidin-1-yl)-2-(tritylthio)propan-1-one |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H37N3OS |
| InChI | InChI=1S/C37H37N3OS/c1-27-21-23-29(24-22-27)33-26-38-35(39-33)34-20-12-13-25-40(34)36(41)28(2)42-37(30-14-6-3-7-15-30,31-16-8-4-9-17-31)32-18-10-5-11-19-32/h3-11,14-19,21-24,26,28,34H,12-13,20,25H2,1-2H3,(H,38,39) |
| InChIKey | WYTJKUJISFLPOA-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 571.783 g/mol |
| SMILES | [nH]1c(ncc1-c1ccc(cc1)C)C1N(C(C(C)SC(c2ccccc2)(c2ccccc2)c2ccccc2)=O)CCCC1 |
| SPLASH | splash10-00kf-2690000000-9240984364f8cf45d258 |
| Source of Spectrum | WO2021074281A1 |
| Wiley ID | 1880105 |