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1-(1-Adamantyl)-4-[(3,4-dimethoxyphenyl)sulfonyl]piperazine
SpectraBase Compound ID 5s2B8SPnxES
InChI InChI=1S/C22H32N2O4S/c1-27-20-4-3-19(12-21(20)28-2)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 NHLPDMIOJLBBLK-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 Azy0dwPGSvo
Name 1-(1-Adamantyl)-4-[(3,4-dimethoxyphenyl)sulfonyl]piperazine
Alternate Name(s) 1-Adamantan-1-yl-4-(3,4-dimethoxy-benzenesulfonyl)-piperazine 1-(1-adamantyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O4S
InChI InChI=1S/C22H32N2O4S/c1-27-20-4-3-19(12-21(20)28-2)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 NHLPDMIOJLBBLK-UHFFFAOYSA-N
Molecular Weight 420.568 g/mol
SMILES COc1ccc(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)cc1OC
SPLASH splash10-000i-2930000000-a7d3dcad80b4e6b1d5f0
Wiley ID 1465122