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3,6-Dioxo-N,N',1,4-tetrabenzyl-2,5-piperazinediacetamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3,6-Dioxo-N,N',1,4-tetrabenzyl-2,5-piperazinediacetamide
SpectraBase Compound ID LiiOUs4Ra6a
InChI InChI=1S/C36H36N4O4/c41-33(37-23-27-13-5-1-6-14-27)21-31-35(43)40(26-30-19-11-4-12-20-30)32(22-34(42)38-24-28-15-7-2-8-16-28)36(44)39(31)25-29-17-9-3-10-18-29/h1-20,31-32H,21-26H2,(H,37,41)(H,38,42)
InChIKey JUDBAIXWCCCACD-UHFFFAOYSA-N
Mol Weight 588.7 g/mol
Molecular Formula C36H36N4O4
Exact Mass 588.273656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HVk8ncvygSQ
Name 3,6-Dioxo-N,N',1,4-tetrabenzyl-2,5-piperazinediacetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.273655651 u
Formula C36H36N4O4
InChI InChI=1S/C36H36N4O4/c41-33(37-23-27-13-5-1-6-14-27)21-31-35(43)40(26-30-19-11-4-12-20-30)32(22-34(42)38-24-28-15-7-2-8-16-28)36(44)39(31)25-29-17-9-3-10-18-29/h1-20,31-32H,21-26H2,(H,37,41)(H,38,42)
InChIKey JUDBAIXWCCCACD-UHFFFAOYSA-N
Molecular Weight 588.708 g/mol
SMILES N(C(CC1N(C(C(CC(NCC=2C=CC=CC2)=O)N(C1=O)CC1=CC=CC=C1)=O)CC=1C=CC=CC1)=O)CC=1C=CC=CC1