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(2RS,3RS,3'SR)-2-Methyl-3-(3'-phenylthio)-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol

View entire compound with spectra: 1 MS (GC)

(2RS,3RS,3'SR)-2-Methyl-3-(3'-phenylthio)-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol
SpectraBase Compound ID KK53PMebeoO
InChI InChI=1S/C17H25NO2S/c1-13(11-19)16(20)17(21-15-5-3-2-4-6-15)12-18-9-7-14(17)8-10-18/h2-6,13-14,16,19-20H,7-12H2,1H3/t13-,16?,17+/m0/s1
InChIKey FQGVKHDHERIOFM-IGEOTXOUSA-N
Mol Weight 307.45 g/mol
Molecular Formula C17H25NO2S
Exact Mass 307.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FhmYH4JBV5x
Name (2RS,3RS,3'SR)-2-Methyl-3-(3'-phenylthio)-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2S
InChI InChI=1S/C17H25NO2S/c1-13(11-19)16(20)17(21-15-5-3-2-4-6-15)12-18-9-7-14(17)8-10-18/h2-6,13-14,16,19-20H,7-12H2,1H3/t13-,16?,17+/m0/s1
InChIKey FQGVKHDHERIOFM-IGEOTXOUSA-N
Molecular Weight 307.452 g/mol
SMILES OC[C@@](C([C@@]1(Sc2ccccc2)CN2CCC1CC2)O)(C)[H]
SPLASH splash10-01ot-0920000000-a9b0feb37ad3ea085bf2
Source of Spectrum KC-1992-2305-20
Synonyms (S)-2-Methyl-3-(3'-phenylthio)-1'-azabicyclo[2.2.2]octan-3'-yl)propane-1,3-diol
Wiley ID 776809