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2-(methylthio)-1-(2-(5-(2-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID CMOjvaDNHWN
InChI InChI=1S/C19H22F3N3OS/c1-12(27-2)18(26)25-10-6-5-9-16(25)17-23-11-15(24-17)13-7-3-4-8-14(13)19(20,21)22/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKey QSLZURBCQYOPRP-UHFFFAOYSA-N
Mol Weight 397.46 g/mol
Molecular Formula C19H22F3N3OS
Exact Mass 397.143568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XwdNNX2GMv
Name 2-(methylthio)-1-(2-(5-(2-(trifluoromethyl)phenyl)-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 C19H22F3N3OS
InChI InChI=1S/C19H22F3N3OS/c1-12(27-2)18(26)25-10-6-5-9-16(25)17-23-11-15(24-17)13-7-3-4-8-14(13)19(20,21)22/h3-4,7-8,11-12,16H,5-6,9-10H2,1-2H3,(H,23,24)
InChIKey QSLZURBCQYOPRP-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 397.460 g/mol
SMILES [nH]1c(cnc1C1N(C(C(SC)C)=O)CCCC1)-c1c(cccc1)C(F)(F)F
SPLASH splash10-0f6x-1193000000-9a8dd13be4ba4a2a3ab4
Source of Spectrum WO2021074281A1
Wiley ID 1880053