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2-(methylthio)-1-(2-(5-phenyloxazol-2-yl)piperidin-1-yl)propan-1-one
SpectraBase Compound ID MNgF4ofE9a
InChI InChI=1S/C18H22N2O2S/c1-13(23-2)18(21)20-11-7-6-10-15(20)17-19-12-16(22-17)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3
InChIKey PVHLUUBHSUKKBV-UHFFFAOYSA-N
Mol Weight 330.45 g/mol
Molecular Formula C18H22N2O2S
Exact Mass 330.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RiskL6BHGQ
Name 2-(methylthio)-1-(2-(5-phenyloxazol-2-yl)piperidin-1-yl)propan-1-one
Appearance White solid
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Formula C18H22N2O2S
InChI InChI=1S/C18H22N2O2S/c1-13(23-2)18(21)20-11-7-6-10-15(20)17-19-12-16(22-17)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,6-7,10-11H2,1-2H3
InChIKey PVHLUUBHSUKKBV-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 330.446 g/mol
SMILES CSC(C(=O)N1C(CCCC1)c1oc(cn1)-c1ccccc1)C
SPLASH splash10-004i-1090000000-35f80c80b137fc1c8ab3
Source of Spectrum WO2021074281A1
Wiley ID 1880008