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2,2-Dimethoxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propane-1,3-diol
SpectraBase Compound ID IeWfnmxr5BH
InChI InChI=1S/C18H27NO4S/c1-22-18(13-20,23-2)16(21)17(24-15-6-4-3-5-7-15)12-19-10-8-14(17)9-11-19/h3-7,14,16,20-21H,8-13H2,1-2H3
InChIKey LLHZCJQJWQUWHS-UHFFFAOYSA-N
Mol Weight 353.48 g/mol
Molecular Formula C18H27NO4S
Exact Mass 353.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K4s5mQi1n3w
Name 2,2-Dimethoxy-1-(3-phenylsulfanyl-1-azabicyclo[2.2.2]octan-3-yl)propane-1,3-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4S
InChI InChI=1S/C18H27NO4S/c1-22-18(13-20,23-2)16(21)17(24-15-6-4-3-5-7-15)12-19-10-8-14(17)9-11-19/h3-7,14,16,20-21H,8-13H2,1-2H3
InChIKey LLHZCJQJWQUWHS-UHFFFAOYSA-N
Molecular Weight 353.477 g/mol
SMILES OCC(C(C1(Sc2ccccc2)CN2CCC1CC2)O)(OC)OC
SPLASH splash10-0002-0390000000-335111e55f479fb2a978
Source of Spectrum KC-1992-2306-21
Synonyms 2,2-Dimethoxy-1-(3-phenylsulfanylquinuclidin-3-yl)propane-1,3-diol 2,2-Dimethoxy-1-[3-(phenylthio)-1-azabicyclo[2.2.2]octan-3-yl]propane-1,3-diol 2,2-Dimethoxy-1-[3-(phenylthio)quinuclidin-3-yl]propane-1,3-diol
Wiley ID 776808