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1-(1-Adamantyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
SpectraBase Compound ID 326XkoDM38S
InChI InChI=1S/C22H32N2O3S/c1-16-3-4-20(27-2)21(9-16)28(25,26)24-7-5-23(6-8-24)22-13-17-10-18(14-22)12-19(11-17)15-22/h3-4,9,17-19H,5-8,10-15H2,1-2H3
InChIKey ASHYWCYXNRFKOF-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C22H32N2O3S
Exact Mass 404.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ2nIwM8gGy
Name 1-(1-Adamantyl)-4-[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
Alternate Name(s) 1-Adamantan-1-yl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine 2-{[4-(1-adamantyl)-1-piperazinyl]sulfonyl}-4-methylphenyl methyl ether 1-(1-adamantyl)-4-(2-methoxy-5-methylphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32N2O3S
InChI InChI=1S/C22H32N2O3S/c1-16-3-4-20(27-2)21(9-16)28(25,26)24-7-5-23(6-8-24)22-13-17-10-18(14-22)12-19(11-17)15-22/h3-4,9,17-19H,5-8,10-15H2,1-2H3
InChIKey ASHYWCYXNRFKOF-UHFFFAOYSA-N
Molecular Weight 404.569 g/mol
SMILES COc1c(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)cc(cc1)C
SPLASH splash10-00kr-3930000000-c35ee57951b2efb25e35
Wiley ID 1465129