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1-(1-adamantyl)-4-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-piperazine
SpectraBase Compound ID KVEujTqpXRG
InChI InChI=1S/C21H28Cl2N2O3S/c1-28-20-18(3-2-17(22)19(20)23)29(26,27)25-6-4-24(5-7-25)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-3,14-16H,4-13H2,1H3
InChIKey CEDDWCCWBYMPIG-UHFFFAOYSA-N
Mol Weight 459.43 g/mol
Molecular Formula C21H28Cl2N2O3S
Exact Mass 458.119769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQaok0hNRn4
Name 1-(1-adamantyl)-4-[3,4-bis(chloranyl)-2-methoxy-phenyl]sulfonyl-piperazine
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Formula C21H28Cl2N2O3S
InChI InChI=1S/C21H28Cl2N2O3S/c1-28-20-18(3-2-17(22)19(20)23)29(26,27)25-6-4-24(5-7-25)21-11-14-8-15(12-21)10-16(9-14)13-21/h2-3,14-16H,4-13H2,1H3
InChIKey CEDDWCCWBYMPIG-UHFFFAOYSA-N
Molecular Weight 459.432 g/mol
SMILES COc1c(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)ccc(Cl)c1Cl
SPLASH splash10-00kr-2930000000-8c1bec73f1a6a1f8b3d2
Synonyms 1-(1-adamantyl)-4-(3,4-dichloro-2-methoxyphenyl)sulfonylpiperazine
Wiley ID 1465125