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3-Phenylthio-1-azabicyclo[2.2.2]octan-3-carbaldehyde
SpectraBase Compound ID LPvVaN5v8W2
InChI InChI=1S/C14H17NOS/c16-11-14(17-13-4-2-1-3-5-13)10-15-8-6-12(14)7-9-15/h1-5,11-12H,6-10H2
InChIKey XFTJDPBUYRGBNT-UHFFFAOYSA-N
Mol Weight 247.36 g/mol
Molecular Formula C14H17NOS
Exact Mass 247.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 214s3D3zPc
Name 3-Phenylthio-1-azabicyclo[2.2.2]octan-3-carbaldehyde
Alternate Name(s) 3-(Phenylsulfanyl)quinuclidine-3-carbaldehyde 3-(Phenylthio)-1-azabicyclo[2.2.2]octane-3-carboxaldehyde 3-Phenylsulfanylquinuclidine-3-carbaldehyde 3-Phenylsulfanyl-1-azabicyclo[2.2.2]octane-3-carbaldehyde
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Formula C14H17NOS
InChI InChI=1S/C14H17NOS/c16-11-14(17-13-4-2-1-3-5-13)10-15-8-6-12(14)7-9-15/h1-5,11-12H,6-10H2
InChIKey XFTJDPBUYRGBNT-UHFFFAOYSA-N
Molecular Weight 247.356 g/mol
SMILES C1N2CCC(C1(C=O)Sc1ccccc1)CC2
SPLASH splash10-00kb-0290000000-e74297fed4f3c8ae64f5
Source of Spectrum KC-1992-2305-13
Wiley ID 776781