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(1S,2S,4S,5R)-2-(Toluene-4-sulfonylmethyl)-5-vinyl-1-azabicyclo[2.2.2]ocane

View entire compound with spectra: 1 MS (GC)

(1S,2S,4S,5R)-2-(Toluene-4-sulfonylmethyl)-5-vinyl-1-azabicyclo[2.2.2]ocane
SpectraBase Compound ID LZhfBt8FpL6
InChI InChI=1S/C17H23NO2S/c1-3-14-11-18-9-8-15(14)10-16(18)12-21(19,20)17-6-4-13(2)5-7-17/h3-7,14-16H,1,8-12H2,2H3/t14-,15+,16-/m0/s1
InChIKey NDVUJWUDXNZWDY-XHSDSOJGSA-N
Mol Weight 305.44 g/mol
Molecular Formula C17H23NO2S
Exact Mass 305.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UhqEUvfxOv
Name (1S,2S,4S,5R)-2-(Toluene-4-sulfonylmethyl)-5-vinyl-1-azabicyclo[2.2.2]ocane
Alternate Name(s) (2S,4S,5R)-2-(p-tolylsulfonylmethyl)-5-vinyl-quinuclidine (2S,4S,5R)-5-ethenyl-2-[(4-methylphenyl)sulfonylmethyl]-1-azabicyclo[2.2.2]octane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO2S
InChI InChI=1S/C17H23NO2S/c1-3-14-11-18-9-8-15(14)10-16(18)12-21(19,20)17-6-4-13(2)5-7-17/h3-7,14-16H,1,8-12H2,2H3/t14-,15+,16-/m0/s1
InChIKey NDVUJWUDXNZWDY-XHSDSOJGSA-N
Molecular Weight 305.436 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)[C@]1(N2C[C@@]([C@@](C1)(CC2)[H])(C=C)[H])[H]
SPLASH splash10-0f79-2910000000-8e3ae2efd848bef8f9bb
Source of Spectrum F-56-4463-1
Wiley ID 857445