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(Z)-(RS)-3-(3-Methylisoxazol-5-ylmethylene)-2-phenylsulphanyl-1-azabicyclo[2.2.2]octane
SpectraBase Compound ID HvZoNeuyLLw
InChI InChI=1S/C18H20N2OS/c1-13-11-15(21-19-13)12-17-14-7-9-20(10-8-14)18(17)22-16-5-3-2-4-6-16/h2-6,11-12,14,18H,7-10H2,1H3/b17-12-
InChIKey HJNXXJMZUNUAOQ-ATVHPVEESA-N
Mol Weight 312.43 g/mol
Molecular Formula C18H20N2OS
Exact Mass 312.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FF9zzvQ1t7Z
Name (Z)-(RS)-3-(3-Methylisoxazol-5-ylmethylene)-2-phenylsulphanyl-1-azabicyclo[2.2.2]octane
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Formula C18H20N2OS
InChI InChI=1S/C18H20N2OS/c1-13-11-15(21-19-13)12-17-14-7-9-20(10-8-14)18(17)22-16-5-3-2-4-6-16/h2-6,11-12,14,18H,7-10H2,1H3/b17-12-
InChIKey HJNXXJMZUNUAOQ-ATVHPVEESA-N
Molecular Weight 312.431 g/mol
SMILES C1(\C(=C/c2onc(c2)C)C2CCN1CC2)Sc1ccccc1
SPLASH splash10-0ik9-0973000000-3fa8594ae18116cfc80a
Source of Spectrum F-56-1144-6
Synonyms (3Z)-3-[(3-methyl-5-isoxazolyl)methylene]-1-azabicyclo[2.2.2]oct-2-yl phenyl sulfide (3Z)-3-[(3-methyl-5-isoxazolyl)methylene]-2-(phenylsulfanyl)-1-azabicyclo[2.2.2]octane
Wiley ID 855853