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2-(allylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
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)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fx0Rkcftey1
Name 2-(allylthio)-1-(2-(5-(p-tolyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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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