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2-Oxo-3-(3'-phenylthio-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol
SpectraBase Compound ID JwzEcMIfTIi
InChI InChI=1S/C16H21NO3S/c18-10-14(19)15(20)16(21-13-4-2-1-3-5-13)11-17-8-6-12(16)7-9-17/h1-5,12,15,18,20H,6-11H2
InChIKey AWCNUEAANVXDSI-UHFFFAOYSA-N
Mol Weight 307.41 g/mol
Molecular Formula C16H21NO3S
Exact Mass 307.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqEihFfYsMs
Name 2-Oxo-3-(3'-phenylthio-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO3S
InChI InChI=1S/C16H21NO3S/c18-10-14(19)15(20)16(21-13-4-2-1-3-5-13)11-17-8-6-12(16)7-9-17/h1-5,12,15,18,20H,6-11H2
InChIKey AWCNUEAANVXDSI-UHFFFAOYSA-N
Molecular Weight 307.408 g/mol
SMILES OCC(C(C1(Sc2ccccc2)CN2CCC1CC2)O)=O
SPLASH splash10-03di-0910000000-10a4644b2b0375e951d3
Source of Spectrum KC-1992-2306-24
Synonyms 1,3-Dihydroxy-1-[3-(phenylthio)-1-azabicyclo[2.2.2]octan-3-yl]-2-propanone 1,3-Dihydroxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propan-2-one 1,3-Dihydroxy-1-(3-phenylsulfanylquinuclidin-3-yl)propan-2-one 1,3-bis(oxidanyl)-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propan-2-one
Wiley ID 776806