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2,5-Piperazinedione, 3-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]propyl]-1,4-bis(phenylmethyl)-6-(2-pyridinylthio)-, cis-(.+-.)-

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

2,5-Piperazinedione, 3-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]propyl]-1,4-bis(phenylmethyl)-6-(2-pyridinylthio)-, cis-(.+-.)-
SpectraBase Compound ID IMGGeK1n03t
InChI InChI=1S/C32H41N3O3SSi/c1-32(2,3)40(4,5)38-22-14-19-27-29(36)35(24-26-17-10-7-11-18-26)31(39-28-20-12-13-21-33-28)30(37)34(27)23-25-15-8-6-9-16-25/h6-13,15-18,20-21,27,31H,14,19,22-24H2,1-5H3/t27-,31-/m0/s1
InChIKey FYNXGQTVYVTWIF-DHIFEGFHSA-N
Mol Weight 575.8 g/mol
Molecular Formula C32H41N3O3SSi
Exact Mass 575.26379 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3wuKH0Ysl10
Name 2,5-Piperazinedione, 3-[3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]propyl]-1,4-bis(phenylmethyl)-6-(2-pyridinylthio)-, cis-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 575.263789898 u
Formula C32H41N3O3SSi
InChI InChI=1S/C32H41N3O3SSi/c1-32(2,3)40(4,5)38-22-14-19-27-29(36)35(24-26-17-10-7-11-18-26)31(39-28-20-12-13-21-33-28)30(37)34(27)23-25-15-8-6-9-16-25/h6-13,15-18,20-21,27,31H,14,19,22-24H2,1-5H3/t27-,31-/m0/s1
InChIKey FYNXGQTVYVTWIF-DHIFEGFHSA-N
Molecular Weight 575.843 g/mol
SMILES [C@@]1(N(C([C@@](N(C1=O)CC=1C=CC=CC1)(CCCO[Si](C(C)(C)C)(C)C)[H])=O)CC=1C=CC=CC1)(SC1=NC=CC=C1)[H]