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1-(Benzofuran-2-yl)-6-methyl-3-tosyl-3-azabicyclo[3.1.0]hexane
SpectraBase Compound ID AjxMjDXX1ns
InChI InChI=1S/C21H21NO3S/c1-14-7-9-17(10-8-14)26(23,24)22-12-18-15(2)21(18,13-22)20-11-16-5-3-4-6-19(16)25-20/h3-11,15,18H,12-13H2,1-2H3/t15-,18-,21-/m0/s1
InChIKey COVKSERTPKRHOD-XERREHJYSA-N
Mol Weight 367.46 g/mol
Molecular Formula C21H21NO3S
Exact Mass 367.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NF6UEOOquz
Name 1-(Benzofuran-2-yl)-6-methyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO3S
InChI InChI=1S/C21H21NO3S/c1-14-7-9-17(10-8-14)26(23,24)22-12-18-15(2)21(18,13-22)20-11-16-5-3-4-6-19(16)25-20/h3-11,15,18H,12-13H2,1-2H3/t15-,18-,21-/m0/s1
InChIKey COVKSERTPKRHOD-XERREHJYSA-N
Literature Reference DOI 10.1002/anie.201209053
Molecular Weight 367.463 g/mol
SMILES c1c2oc(cc2ccc1)[C@]12[C@@](CN(C2)S(c2ccc(cc2)C)(=O)=O)([C@@]1(C)[H])[H]
SPLASH splash10-00lr-2915000000-c091210f2e17ef7346d5
Source of Spectrum ACI-52-SMS2-2
Synonyms (1S,5S,6S)-1-(benzofuran-2-yl)-6-methyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Wiley ID 1781085