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1-(1-adamantyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine
SpectraBase Compound ID Aw4KseRAtn4
InChI InChI=1S/C23H34N2O2S/c1-16-8-17(2)22(18(3)9-16)28(26,27)25-6-4-24(5-7-25)23-13-19-10-20(14-23)12-21(11-19)15-23/h8-9,19-21H,4-7,10-15H2,1-3H3
InChIKey LNAVSMZOFXHYTO-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C23H34N2O2S
Exact Mass 402.2341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3fOQh6yX1MA
Name 1-(1-adamantyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2O2S
InChI InChI=1S/C23H34N2O2S/c1-16-8-17(2)22(18(3)9-16)28(26,27)25-6-4-24(5-7-25)23-13-19-10-20(14-23)12-21(11-19)15-23/h8-9,19-21H,4-7,10-15H2,1-3H3
InChIKey LNAVSMZOFXHYTO-UHFFFAOYSA-N
Molecular Weight 402.597 g/mol
SMILES Cc1cc(c(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)c(c1)C)C
SPLASH splash10-00kr-2930000000-1811eb7a6a7eaacc0893
Synonyms 1-(1-adamantyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
Wiley ID 1465128