1-(Benzofuran-2-yl)-6-butyl-3-tosyl-3-azabicyclo[3.1.0]hexane

SpectraBase Compound ID	HRWY8s5Z7bZ
InChI	InChI=1S/C24H27NO3S/c1-3-4-8-20-21-15-25(29(26,27)19-12-10-17(2)11-13-19)16-24(20,21)23-14-18-7-5-6-9-22(18)28-23/h5-7,9-14,20-21H,3-4,8,15-16H2,1-2H3/t20-,21-,24-/m0/s1
InChIKey	NDFKAWZZSFIYHE-HFMPRLQTSA-N Google Search
Mol Weight	409.54 g/mol
Molecular Formula	C24H27NO3S
Exact Mass	409.171165 g/mol

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SpectraBase Spectrum ID	Kt5uaFv0nGv
Name	1-(Benzofuran-2-yl)-6-butyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H27NO3S
InChI	InChI=1S/C24H27NO3S/c1-3-4-8-20-21-15-25(29(26,27)19-12-10-17(2)11-13-19)16-24(20,21)23-14-18-7-5-6-9-22(18)28-23/h5-7,9-14,20-21H,3-4,8,15-16H2,1-2H3/t20-,21-,24-/m0/s1
InChIKey	NDFKAWZZSFIYHE-HFMPRLQTSA-N
Literature Reference DOI	10.1002/anie.201209053
Molecular Weight	409.544 g/mol
SMILES	[C@]1([C@]2([H])CN(S(c3ccc(cc3)C)(=O)=O)C[C@]12c1cc2ccccc2o1)(CCCC)[H]
SPLASH	splash10-0059-2892200000-f62bc75502f326f94f08
Source of Spectrum	ACI-52-SMS3-4c
Synonyms	(1S,5S,6S)-1-(benzofuran-2-yl)-6-butyl-3-tosyl-3-azabicyclo[3.1.0]hexane
Wiley ID	1781088