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2-(2-(1-(2-(methylthio)propanoyl)piperidin-2-yl)-1H-imidazol-5-yl)benzonitrile
SpectraBase Compound ID G2NmN1vzoFL
InChI InChI=1S/C19H22N4OS/c1-13(25-2)19(24)23-10-6-5-9-17(23)18-21-12-16(22-18)15-8-4-3-7-14(15)11-20/h3-4,7-8,12-13,17H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKey JLZIXWSHKMTQLJ-UHFFFAOYSA-N
Mol Weight 354.47 g/mol
Molecular Formula C19H22N4OS
Exact Mass 354.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKtCFkmDeKt
Name 2-(2-(1-(2-(methylthio)propanoyl)piperidin-2-yl)-1H-imidazol-5-yl)benzonitrile
Appearance White solid
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Formula C19H22N4OS
InChI InChI=1S/C19H22N4OS/c1-13(25-2)19(24)23-10-6-5-9-17(23)18-21-12-16(22-18)15-8-4-3-7-14(15)11-20/h3-4,7-8,12-13,17H,5-6,9-10H2,1-2H3,(H,21,22)
InChIKey JLZIXWSHKMTQLJ-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 354.472 g/mol
SMILES [nH]1c(cnc1C1N(C(C(SC)C)=O)CCCC1)-c1c(cccc1)C#N
SPLASH splash10-0udi-0291000000-56cd70c5f198f244b852
Source of Spectrum WO2021074281A1
Wiley ID 1880049