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1-(1-Adamantyl)-4-[(2,5-diethoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID D0V9VVxoFbG
InChI InChI=1S/C24H36N2O4S/c1-3-29-21-5-6-22(30-4-2)23(14-21)31(27,28)26-9-7-25(8-10-26)24-15-18-11-19(16-24)13-20(12-18)17-24/h5-6,14,18-20H,3-4,7-13,15-17H2,1-2H3
InChIKey IBUYXSHQGTUCBE-UHFFFAOYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C24H36N2O4S
Exact Mass 448.239579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ge2xa54aXbS
Name 1-(1-Adamantyl)-4-[(2,5-diethoxyphenyl)sulfonyl]piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O4S
InChI InChI=1S/C24H36N2O4S/c1-3-29-21-5-6-22(30-4-2)23(14-21)31(27,28)26-9-7-25(8-10-26)24-15-18-11-19(16-24)13-20(12-18)17-24/h5-6,14,18-20H,3-4,7-13,15-17H2,1-2H3
InChIKey IBUYXSHQGTUCBE-UHFFFAOYSA-N
Molecular Weight 448.622 g/mol
SMILES CCOc1cc(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)c(cc1)OCC
SPLASH splash10-00kr-3930000000-3130bcf817ab471f7231
Synonyms 1-Adamantan-1-yl-4-(2,5-diethoxy-benzenesulfonyl)-piperazine 1-(1-adamantyl)-4-(2,5-diethoxyphenyl)sulfonylpiperazine
Wiley ID 1465130