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(4-Benzenesulfonylphenyl)-(4-benzylpiperidin-1-yl)methanone

View entire compound with spectra: 1 NMR

(4-Benzenesulfonylphenyl)-(4-benzylpiperidin-1-yl)methanone
SpectraBase Compound ID BlqyLKq7Jrg
InChI InChI=1S/C25H25NO3S/c27-25(26-17-15-21(16-18-26)19-20-7-3-1-4-8-20)22-11-13-24(14-12-22)30(28,29)23-9-5-2-6-10-23/h1-14,21H,15-19H2
InChIKey GDXZPYWAWKTTFI-UHFFFAOYSA-N
Mol Weight 419.54 g/mol
Molecular Formula C25H25NO3S
Exact Mass 419.155515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYCAZkXmFqm
Name (4-Benzenesulfonylphenyl)-(4-benzylpiperidin-1-yl)methanone
Comments Computed using HOSE algorithm
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Exact Mass 419.155514840 u
Formula C25H25NO3S
InChI InChI=1S/C25H25NO3S/c27-25(26-17-15-21(16-18-26)19-20-7-3-1-4-8-20)22-11-13-24(14-12-22)30(28,29)23-9-5-2-6-10-23/h1-14,21H,15-19H2
InChIKey GDXZPYWAWKTTFI-UHFFFAOYSA-N
Molecular Weight 419.539 g/mol
SMILES C1(=CC=CC=C1)CC1CCN(CC1)C(C=1C=CC(=CC1)S(C=1C=CC=CC1)(=O)=O)=O