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2-mercapto-1-(2-(5-(p-tolyl)imidazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID 79KSLSEf14a
InChI InChI=1S/C18H23N3OS/c1-12-6-8-14(9-7-12)15-11-19-17(20-15)16-5-3-4-10-21(16)18(22)13(2)23/h6-9,11,13,16,23H,3-5,10H2,1-2H3,(H,19,20)
InChIKey LCMBHJPZYJCYFI-UHFFFAOYSA-N
Mol Weight 329.46 g/mol
Molecular Formula C18H23N3OS
Exact Mass 329.156184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12qaN6RYaO
Name 2-mercapto-1-(2-(5-(p-tolyl)imidazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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Formula C18H23N3OS
InChI InChI=1S/C18H23N3OS/c1-12-6-8-14(9-7-12)15-11-19-17(20-15)16-5-3-4-10-21(16)18(22)13(2)23/h6-9,11,13,16,23H,3-5,10H2,1-2H3,(H,19,20)
InChIKey LCMBHJPZYJCYFI-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 329.462 g/mol
SMILES SC(C(N1C(c2ncc([nH]2)-c2ccc(cc2)C)CCCC1)=O)C
SPLASH splash10-03dl-9080000000-52c2d87e5caf2f62d89a
Source of Spectrum WO2021074281A1
Wiley ID 1880106