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1-(2-(5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID ER9Zp6qgS8Z
InChI InChI=1S/C20H27N3O3S/c1-13(27-4)20(24)23-10-6-5-7-16(23)19-21-12-15(22-19)14-8-9-17(25-2)18(11-14)26-3/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,21,22)
InChIKey HKYCJJGMSZFHIZ-UHFFFAOYSA-N
Mol Weight 389.51 g/mol
Molecular Formula C20H27N3O3S
Exact Mass 389.177313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GVif9SYVgNV
Name 1-(2-(5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O3S
InChI InChI=1S/C20H27N3O3S/c1-13(27-4)20(24)23-10-6-5-7-16(23)19-21-12-15(22-19)14-8-9-17(25-2)18(11-14)26-3/h8-9,11-13,16H,5-7,10H2,1-4H3,(H,21,22)
InChIKey HKYCJJGMSZFHIZ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 389.514 g/mol
SMILES [nH]1c(cnc1C1N(CCCC1)C(C(C)SC)=O)-c1cc(c(OC)cc1)OC
SPLASH splash10-000i-0091000000-f0701688a5163e31da0a
Source of Spectrum WO2021074281A1
Wiley ID 1880104