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1-(2-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
SpectraBase Compound ID 5ZGpM2r87xG
InChI InChI=1S/C16H21N3OS/c1-11(21-2)16(20)19-10-6-5-9-14(19)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKey FAFRDCBBYLIVIC-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BOQqtV8vZDw
Name 1-(2-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)-2-(methylthio)propan-1-one
Appearance White solid
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Formula C16H21N3OS
InChI InChI=1S/C16H21N3OS/c1-11(21-2)16(20)19-10-6-5-9-14(19)15-17-12-7-3-4-8-13(12)18-15/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKey FAFRDCBBYLIVIC-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 303.424 g/mol
SMILES [nH]1c2ccccc2nc1C1N(CCCC1)C(C(C)SC)=O
SPLASH splash10-0udi-0390000000-f0910d888abdafe34bd5
Sample Comments Isomer 2
Source of Spectrum WO2021074281A1
Wiley ID 1880012