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5-[3-Azabicyclo[3.2.2]nonane-3-yl]-1,3,4-thiadiazol-2(3H)-one

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5-[3-Azabicyclo[3.2.2]nonane-3-yl]-1,3,4-thiadiazol-2(3H)-one
SpectraBase Compound ID 1thmayS43bV
InChI InChI=1S/C17H22N6S/c1-12(15-4-2-3-9-18-15)19-20-16-21-22-17(24-16)23-10-13-5-6-14(11-23)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,20,21)/b19-12+
InChIKey OAEMPLFQYFCIDF-XDHOZWIPSA-N
Mol Weight 342.47 g/mol
Molecular Formula C17H22N6S
Exact Mass 342.162666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZQSQzDapWm
Name 5-[3-Azabicyclo[3.2.2]nonane-3-yl]-1,3,4-thiadiazol-2(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 342.162665906 u
Formula C17H22N6S
InChI InChI=1S/C17H22N6S/c1-12(15-4-2-3-9-18-15)19-20-16-21-22-17(24-16)23-10-13-5-6-14(11-23)8-7-13/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,20,21)/b19-12+
InChIKey OAEMPLFQYFCIDF-XDHOZWIPSA-N
Molecular Weight 342.465 g/mol
SMILES C1=CC(=NC=C1)\C(C)=N\NC1=NN=C(N2CC3CCC(C2)CC3)S1