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2-(methylthio)-1-(2-(5-(p-tolyl)isoxazol-3-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID Fens1u4AXzl
InChI InChI=1S/C19H24N2O2S/c1-13-7-9-15(10-8-13)18-12-16(20-23-18)17-6-4-5-11-21(17)19(22)14(2)24-3/h7-10,12,14,17H,4-6,11H2,1-3H3
InChIKey CLGUCVRUCGUALA-UHFFFAOYSA-N
Mol Weight 344.47 g/mol
Molecular Formula C19H24N2O2S
Exact Mass 344.155849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXSnl3nITBw
Name 2-(methylthio)-1-(2-(5-(p-tolyl)isoxazol-3-yl)piperidin-1-yl)propan-1-one
Appearance Yellow liquid
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Formula C19H24N2O2S
InChI InChI=1S/C19H24N2O2S/c1-13-7-9-15(10-8-13)18-12-16(20-23-18)17-6-4-5-11-21(17)19(22)14(2)24-3/h7-10,12,14,17H,4-6,11H2,1-3H3
InChIKey CLGUCVRUCGUALA-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 344.473 g/mol
SMILES CSC(C(=O)N1C(CCCC1)c1noc(c1)-c1ccc(cc1)C)C
SPLASH splash10-00pl-9300000000-059375cc79ed0f91a0a7
Source of Spectrum WO2021074281A1
Wiley ID 1880102