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1-(Benzofuran-2-yl)-6-phenyl-3-tosyl-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID 8gFE5VwHJeE
InChI InChI=1S/C26H23NO3S/c1-18-11-13-21(14-12-18)31(28,29)27-16-22-25(19-7-3-2-4-8-19)26(22,17-27)24-15-20-9-5-6-10-23(20)30-24/h2-15,22,25H,16-17H2,1H3/t22-,25-,26-/m0/s1
InChIKey QVDQTEPJABSFEX-HRNNMHKYSA-N
Mol Weight 429.53 g/mol
Molecular Formula C26H23NO3S
Exact Mass 429.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eEKTvKlAdP
Name 1-(Benzofuran-2-yl)-6-phenyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Alternate Name(s) (1S,5S,6R)-1-(benzofuran-2-yl)-6-phenyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23NO3S
InChI InChI=1S/C26H23NO3S/c1-18-11-13-21(14-12-18)31(28,29)27-16-22-25(19-7-3-2-4-8-19)26(22,17-27)24-15-20-9-5-6-10-23(20)30-24/h2-15,22,25H,16-17H2,1H3/t22-,25-,26-/m0/s1
InChIKey QVDQTEPJABSFEX-HRNNMHKYSA-N
Literature Reference DOI 10.1002/anie.201209053
Molecular Weight 429.534 g/mol
SMILES [C@@]1(c2ccccc2)([C@]2([H])CN(S(c3ccc(cc3)C)(=O)=O)C[C@]12c1cc2ccccc2o1)[H]
SPLASH splash10-0002-3291100000-e126814825f475a1d3f9
Source of Spectrum ACI-52-SMS4-4d
Wiley ID 1781089