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1-(1-Adamantyl)-4-[(2,5-dimethoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID 7p3uoiAVGWb
InChI InChI=1S/C22H32N2O4S/c1-27-19-3-4-20(28-2)21(12-19)29(25,26)24-7-5-23(6-8-24)22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18H,5-11,13-15H2,1-2H3
InChIKey RRUHRQCUOJRTHJ-UHFFFAOYSA-N
Mol Weight 420.6 g/mol
Molecular Formula C22H32N2O4S
Exact Mass 420.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yg3pp2ukpj
Name 1-(1-Adamantyl)-4-[(2,5-dimethoxyphenyl)sulfonyl]piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O4S
InChI InChI=1S/C22H32N2O4S/c1-27-19-3-4-20(28-2)21(12-19)29(25,26)24-7-5-23(6-8-24)22-13-16-9-17(14-22)11-18(10-16)15-22/h3-4,12,16-18H,5-11,13-15H2,1-2H3
InChIKey RRUHRQCUOJRTHJ-UHFFFAOYSA-N
Molecular Weight 420.568 g/mol
SMILES COc1cc(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)c(cc1)OC
SPLASH splash10-00kr-3930000000-071fa404c682d40ab056
Wiley ID 1465123