| SpectraBase Compound ID | JERobPwnxSo |
|---|---|
| InChI | InChI=1S/C21H27N3OS/c1-4-13-26-16(3)21(25)24-12-6-5-7-19(24)20-22-14-18(23-20)17-10-8-15(2)9-11-17/h4,8-11,14,16,19H,1,5-7,12-13H2,2-3H3,(H,22,23) |
| InChIKey | UUYUAFGYMVDPQT-UHFFFAOYSA-N |
| Mol Weight | 369.53 g/mol |
| Molecular Formula | C21H27N3OS |
| Exact Mass | 369.187484 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6q4RsYern4F |
|---|---|
| Name | 2-(allylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one |
| Appearance | White solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27N3OS |
| InChI | InChI=1S/C21H27N3OS/c1-4-13-26-16(3)21(25)24-12-6-5-7-19(24)20-22-14-18(23-20)17-10-8-15(2)9-11-17/h4,8-11,14,16,19H,1,5-7,12-13H2,2-3H3,(H,22,23) |
| InChIKey | UUYUAFGYMVDPQT-UHFFFAOYSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 369.527 g/mol |
| SMILES | [nH]1c(cnc1C1N(C(C(SCC=C)C)=O)CCCC1)-c1ccc(cc1)C |
| SPLASH | splash10-0006-0492000000-7ed9ae9fb116c6cbfdcf |
| Sample Comments | Isomer 1 |
| Source of Spectrum | WO2021074281A1 |
| Wiley ID | 1880073 |