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Piperazine, 1-ethyl-4-[[1-(phenylsulfonyl)-3-piperidinyl]carbonyl]-
SpectraBase Compound ID ArdrkeniToh
InChI InChI=1S/C18H27N3O3S/c1-2-19-11-13-20(14-12-19)18(22)16-7-6-10-21(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKey KHGARDVQEVLEDB-UHFFFAOYSA-N
Mol Weight 365.49 g/mol
Molecular Formula C18H27N3O3S
Exact Mass 365.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LMBBLEnsTTI
Name Piperazine, 1-ethyl-4-[[1-(phenylsulfonyl)-3-piperidinyl]carbonyl]-
Comments Computed using HOSE algorithm
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Exact Mass 365.177312912 u
Formula C18H27N3O3S
InChI InChI=1S/C18H27N3O3S/c1-2-19-11-13-20(14-12-19)18(22)16-7-6-10-21(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3
InChIKey KHGARDVQEVLEDB-UHFFFAOYSA-N
Molecular Weight 365.492 g/mol
SMILES C1=CC=C(S(N2CC(C(N3CCN(CC3)CC)=O)CCC2)(=O)=O)C=C1