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1-Benzyl-4-[phenyl(phenylsulfanyl)acetyl]piperazine
SpectraBase Compound ID AuzmNAwV62X
InChI InChI=1S/C25H26N2OS/c28-25(27-18-16-26(17-19-27)20-21-10-4-1-5-11-21)24(22-12-6-2-7-13-22)29-23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKey JLDSCBGMMWJKRU-UHFFFAOYSA-N
Mol Weight 402.56 g/mol
Molecular Formula C25H26N2OS
Exact Mass 402.176585 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9seVTBc9sXG
Name 1-Benzyl-4-[phenyl(phenylsulfanyl)acetyl]piperazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.176584638 u
Formula C25H26N2OS
InChI InChI=1S/C25H26N2OS/c28-25(27-18-16-26(17-19-27)20-21-10-4-1-5-11-21)24(22-12-6-2-7-13-22)29-23-14-8-3-9-15-23/h1-15,24H,16-20H2
InChIKey JLDSCBGMMWJKRU-UHFFFAOYSA-N
Molecular Weight 402.556 g/mol
SMILES C(N1CCN(CC1)CC=1C=CC=CC1)(C(SC=1C=CC=CC1)C1=CC=CC=C1)=O