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1-(1-adamantyl)-4-[2,5-bis(chloranyl)phenyl]sulfonyl-piperazine
SpectraBase Compound ID BAfuHr4LitH
InChI InChI=1S/C20H26Cl2N2O2S/c21-17-1-2-18(22)19(10-17)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKey DFHQTAJVVFIBOG-UHFFFAOYSA-N
Mol Weight 429.41 g/mol
Molecular Formula C20H26Cl2N2O2S
Exact Mass 428.109205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRAxfHDF4jp
Name 1-(1-adamantyl)-4-[2,5-bis(chloranyl)phenyl]sulfonyl-piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26Cl2N2O2S
InChI InChI=1S/C20H26Cl2N2O2S/c21-17-1-2-18(22)19(10-17)27(25,26)24-5-3-23(4-6-24)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKey DFHQTAJVVFIBOG-UHFFFAOYSA-N
Molecular Weight 429.406 g/mol
SMILES c1cc(c(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)cc1Cl)Cl
SPLASH splash10-00kr-1940000000-7bece5462c8d42f36ad6
Wiley ID 1465126