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endo/exo-(1S*,2R*,3R*,4R*,5R*,6R*)-2-Chloro-6-nitro-3,5-bis(phenylsulfonyl)bicyclo[2.2.2]octane
SpectraBase Compound ID FsiN0MwrmHv
InChI InChI=1S/C20H20ClNO6S2/c21-17-15-11-12-16(19(17)29(25,26)13-7-3-1-4-8-13)18(22(23)24)20(15)30(27,28)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+,19+,20+/m0/s1
InChIKey STAIRTLHTKVARE-VTYCOLDWSA-N
Mol Weight 469.95 g/mol
Molecular Formula C20H20ClNO6S2
Exact Mass 469.042057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw0NTA0YqIi
Name endo/exo-(1S*,2R*,3R*,4R*,5R*,6R*)-2-Chloro-6-nitro-3,5-bis(phenylsulfonyl)bicyclo[2.2.2]octane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClNO6S2
InChI InChI=1S/C20H20ClNO6S2/c21-17-15-11-12-16(19(17)29(25,26)13-7-3-1-4-8-13)18(22(23)24)20(15)30(27,28)14-9-5-2-6-10-14/h1-10,15-20H,11-12H2/t15-,16-,17+,18+,19+,20+/m0/s1
InChIKey STAIRTLHTKVARE-VTYCOLDWSA-N
Molecular Weight 469.954 g/mol
SMILES [C@]1([C@@]([C@@]2([H])[C@]([C@@]([C@@]1(CC2)[H])(Cl)[H])(S(=O)(=O)c1ccccc1)[H])(N(=O)=O)[H])(S(=O)(=O)c1ccccc1)[H]
SPLASH splash10-004u-0910100000-7332463c24c8da34ec7b
Source of Spectrum KC-0-4353-8
Synonyms (1R,2R,3R,4S,5R,6R)-2-chloro-5-nitro-3,6-bis(phenylsulfonyl)bicyclo[2.2.2]octane
Wiley ID 832127