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Piperazine, 1-(4-tert-butylbenzenesulfonyl)-4-(2,3-dimethylphenyl)-

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

Piperazine, 1-(4-tert-butylbenzenesulfonyl)-4-(2,3-dimethylphenyl)-
SpectraBase Compound ID C9cWILCKTW2
InChI InChI=1S/C22H30N2O2S/c1-17-7-6-8-21(18(17)2)23-13-15-24(16-14-23)27(25,26)20-11-9-19(10-12-20)22(3,4)5/h6-12H,13-16H2,1-5H3
InChIKey ZKMAXHHZGIELON-UHFFFAOYSA-N
Mol Weight 386.55 g/mol
Molecular Formula C22H30N2O2S
Exact Mass 386.202799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fewyn7ZZcsi
Name Piperazine, 1-(4-tert-butylbenzenesulfonyl)-4-(2,3-dimethylphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 386.202799386 u
Formula C22H30N2O2S
InChI InChI=1S/C22H30N2O2S/c1-17-7-6-8-21(18(17)2)23-13-15-24(16-14-23)27(25,26)20-11-9-19(10-12-20)22(3,4)5/h6-12H,13-16H2,1-5H3
InChIKey ZKMAXHHZGIELON-UHFFFAOYSA-N
Molecular Weight 386.554 g/mol
SMILES C1CN(CCN1S(C1=CC=C(C(C)(C)C)C=C1)(=O)=O)C1=CC=CC(=C1C)C