6-Butyl-1-(5-methylbenzofuran-2-yl)-3-tosyl-3-azabicyclo[3.1.0]hexane

SpectraBase Compound ID	JNA6wTtRebO
InChI	InChI=1S/C25H29NO3S/c1-4-5-6-21-22-15-26(30(27,28)20-10-7-17(2)8-11-20)16-25(21,22)24-14-19-13-18(3)9-12-23(19)29-24/h7-14,21-22H,4-6,15-16H2,1-3H3/t21-,22-,25-/m0/s1
InChIKey	ATFFURUTMVVRFA-HWBMXIPRSA-N Google Search
Mol Weight	423.57 g/mol
Molecular Formula	C25H29NO3S
Exact Mass	423.186815 g/mol

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SpectraBase Spectrum ID	mnelbk7HC5
Name	6-Butyl-1-(5-methylbenzofuran-2-yl)-3-tosyl-3-azabicyclo[3.1.0]hexane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H29NO3S
InChI	InChI=1S/C25H29NO3S/c1-4-5-6-21-22-15-26(30(27,28)20-10-7-17(2)8-11-20)16-25(21,22)24-14-19-13-18(3)9-12-23(19)29-24/h7-14,21-22H,4-6,15-16H2,1-3H3/t21-,22-,25-/m0/s1
InChIKey	ATFFURUTMVVRFA-HWBMXIPRSA-N
Literature Reference DOI	10.1002/anie.201209053
Molecular Weight	423.571 g/mol
SMILES	[C@@]1([C@@]2(c3cc4cc(ccc4o3)C)CN(S(c3ccc(cc3)C)(=O)=O)C[C@@]12[H])(CCCC)[H]
SPLASH	splash10-0007-2593200000-cd618daeeef464eccd74
Source of Spectrum	ACI-52-SMS6-4i
Synonyms	(1S,5S,6S)-6-butyl-1-(5-methylbenzofuran-2-yl)-3-tosyl-3-azabicyclo[3.1.0]hexane
Wiley ID	1781093