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1-(1-Adamantyl)-4-[(4-tert-butylphenyl)sulfonyl]piperazine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-(1-Adamantyl)-4-[(4-tert-butylphenyl)sulfonyl]piperazine
SpectraBase Compound ID 8KC6Vctjpaa
InChI InChI=1S/C24H36N2O2S/c1-23(2,3)21-4-6-22(7-5-21)29(27,28)26-10-8-25(9-11-26)24-15-18-12-19(16-24)14-20(13-18)17-24/h4-7,18-20H,8-17H2,1-3H3
InChIKey DXKPGAVUKLTUGB-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C24H36N2O2S
Exact Mass 416.24975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7icKNX8MNHS
Name 1-(1-Adamantyl)-4-[(4-tert-butylphenyl)sulfonyl]piperazine
Comments Computed using HOSE algorithm
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Exact Mass 416.249749579 u
Formula C24H36N2O2S
InChI InChI=1S/C24H36N2O2S/c1-23(2,3)21-4-6-22(7-5-21)29(27,28)26-10-8-25(9-11-26)24-15-18-12-19(16-24)14-20(13-18)17-24/h4-7,18-20H,8-17H2,1-3H3
InChIKey DXKPGAVUKLTUGB-UHFFFAOYSA-N
Molecular Weight 416.624 g/mol
SMILES C12(CC3CC(C2)CC(C1)C3)N1CCN(CC1)S(C1=CC=C(C=C1)C(C)(C)C)(=O)=O