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1-(1-adamantyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine

View entire compound with spectra: 1 MS (GC)

1-(1-adamantyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 37dsIZkAscp
InChI InChI=1S/C24H36N2O2S/c1-17(2)22-5-4-18(3)23(13-22)29(27,28)26-8-6-25(7-9-26)24-14-19-10-20(15-24)12-21(11-19)16-24/h4-5,13,17,19-21H,6-12,14-16H2,1-3H3
InChIKey MPKJGHCFBGEXBG-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C24H36N2O2S
Exact Mass 416.24975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5mTGNB0ovCl
Name 1-(1-adamantyl)-4-(2-methyl-5-propan-2-yl-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O2S
InChI InChI=1S/C24H36N2O2S/c1-17(2)22-5-4-18(3)23(13-22)29(27,28)26-8-6-25(7-9-26)24-14-19-10-20(15-24)12-21(11-19)16-24/h4-5,13,17,19-21H,6-12,14-16H2,1-3H3
InChIKey MPKJGHCFBGEXBG-UHFFFAOYSA-N
Molecular Weight 416.624 g/mol
SMILES C12(CC3CC(C2)CC(C1)C3)N1CCN(CC1)S(c1cc(ccc1C)C(C)C)(=O)=O
SPLASH splash10-014r-7940100000-12b9794852fb5cf3663f
Synonyms 1-(1-adamantyl)-4-(2-methyl-5-propan-2-ylphenyl)sulfonylpiperazine
Wiley ID 1445566