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 |
SpectraBase Spectrum ID | Fx0Rkcftey1 |
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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 | splash10-0006-0593000000-a9974c7c06426f3ec827 |
Sample Comments | Isomer 2 |
Source of Spectrum | WO2021074281A1 |
Wiley ID | 1880072 |