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1-(1-adamantyl)-4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazine
SpectraBase Compound ID 4LQUHqnEp0q
InChI InChI=1S/C21H28Cl2N2O3S/c1-28-19-9-18(23)20(10-17(19)22)29(26,27)25-4-2-24(3-5-25)21-11-14-6-15(12-21)8-16(7-14)13-21/h9-10,14-16H,2-8,11-13H2,1H3
InChIKey KPFWHNWRBRVKJE-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 2A6acVEjOM
Name 1-(1-adamantyl)-4-[2,5-bis(chloranyl)-4-methoxy-phenyl]sulfonyl-piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28Cl2N2O3S
InChI InChI=1S/C21H28Cl2N2O3S/c1-28-19-9-18(23)20(10-17(19)22)29(26,27)25-4-2-24(3-5-25)21-11-14-6-15(12-21)8-16(7-14)13-21/h9-10,14-16H,2-8,11-13H2,1H3
InChIKey KPFWHNWRBRVKJE-UHFFFAOYSA-N
Molecular Weight 459.432 g/mol
SMILES C12(CC3CC(C2)CC(C1)C3)N1CCN(CC1)S(c1cc(c(cc1Cl)OC)Cl)(=O)=O
SPLASH splash10-014r-2790000000-9c908f56ec13f728240d
Wiley ID 1443358