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1-[(4-Butylphenyl)sulfonyl]-4-phenylpiperazine

View entire compound with spectra: 2 NMR

1-[(4-Butylphenyl)sulfonyl]-4-phenylpiperazine
SpectraBase Compound ID 1fpKhfbsBKI
InChI InChI=1S/C20H26N2O2S/c1-2-3-7-18-10-12-20(13-11-18)25(23,24)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3
InChIKey RACSEDFWGMDPQZ-UHFFFAOYSA-N
Mol Weight 358.5 g/mol
Molecular Formula C20H26N2O2S
Exact Mass 358.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XxGmaameoc
Name 1-[(4-Butylphenyl)sulfonyl]-4-phenylpiperazine
Comments Computed using HOSE algorithm
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Exact Mass 358.171499257 u
Formula C20H26N2O2S
InChI InChI=1S/C20H26N2O2S/c1-2-3-7-18-10-12-20(13-11-18)25(23,24)22-16-14-21(15-17-22)19-8-5-4-6-9-19/h4-6,8-13H,2-3,7,14-17H2,1H3
InChIKey RACSEDFWGMDPQZ-UHFFFAOYSA-N
Molecular Weight 358.500 g/mol
SMILES C=1C=CC(N2CCN(S(C3=CC=C(C=C3)CCCC)(=O)=O)CC2)=CC1