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1-(Benzofuran-2-yl)-6,6-dimethyl-3-tosyl-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID AG3S9xUbg9D
InChI InChI=1S/C22H23NO3S/c1-15-8-10-17(11-9-15)27(24,25)23-13-19-21(2,3)22(19,14-23)20-12-16-6-4-5-7-18(16)26-20/h4-12,19H,13-14H2,1-3H3/t19-,22-/m0/s1
InChIKey HILYHBZZCCRGLD-UGKGYDQZSA-N
Mol Weight 381.49 g/mol
Molecular Formula C22H23NO3S
Exact Mass 381.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO2igkhPgCo
Name 1-(Benzofuran-2-yl)-6,6-dimethyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Alternate Name(s) (1R,5S)-1-(benzofuran-2-yl)-6,6-dimethyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO3S
InChI InChI=1S/C22H23NO3S/c1-15-8-10-17(11-9-15)27(24,25)23-13-19-21(2,3)22(19,14-23)20-12-16-6-4-5-7-18(16)26-20/h4-12,19H,13-14H2,1-3H3/t19-,22-/m0/s1
InChIKey HILYHBZZCCRGLD-UGKGYDQZSA-N
Literature Reference DOI 10.1002/anie.201209053
Molecular Weight 381.490 g/mol
SMILES C1([C@@]2(CN(C[C@]12c1cc2ccccc2o1)S(c1ccc(cc1)C)(=O)=O)[H])(C)C
SPLASH splash10-000t-0900000000-97d4467ff9c9df9bf030
Source of Spectrum ACI-52-SMS2-4a
Wiley ID 1781086