endo/exo-2-Chloro-6-nitro-5-(phenylsulfonyl)-3-phenylthiobicyclo[2.2.2]octane

SpectraBase Compound ID	5HuGuEr5MtH
InChI	InChI=1S/C20H20ClNO4S2/c21-17-15-11-12-16(19(17)27-13-7-3-1-4-8-13)18(22(23)24)20(15)28(25,26)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey	OTBWLTNAYZHPLI-BZIXAJQCSA-N Google Search
Mol Weight	437.96 g/mol
Molecular Formula	C20H20ClNO4S2
Exact Mass	437.052228 g/mol

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SpectraBase Spectrum ID	FCY7jDRNo2d
Name	endo/exo-2-Chloro-6-nitro-5-(phenylsulfonyl)-3-phenylthiobicyclo[2.2.2]octane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H20ClNO4S2
InChI	InChI=1S/C20H20ClNO4S2/c21-17-15-11-12-16(19(17)27-13-7-3-1-4-8-13)18(22(23)24)20(15)28(25,26)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey	OTBWLTNAYZHPLI-BZIXAJQCSA-N
Molecular Weight	437.956 g/mol
SMILES	[C@]1([C@@]([C@]2(CC[C@@]1([C@]([C@@]2(Sc1ccccc1)[H])(Cl)[H])[H])[H])(N(=O)=O)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH	splash10-0a4i-0739200000-3d1f1b1bb9a185c41944
Source of Spectrum	KC-0-4353-7
Synonyms	2-Chloro-5-nitro-3-(phenylsulfanyl)-6-(phenylsulfonyl)bicyclo[2.2.2]octane 6-Chloro-3-nitro-5-(phenylsulfanyl)bicyclo[2.2.2]oct-2-yl phenyl sulfone endo/exo-(1S,2R,3R,4R,5R,6R)-2-Chloro-6-nitro-5-(phenylsulfonyl)-3-phenylthiobicyclo[2.2.2]octane
Wiley ID	832128