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6-Benzyl-4,6-bis[(E)-3-phenylallyl]piperazine-2,3,5-trione
SpectraBase Compound ID 2AAa61eYSx5
InChI InChI=1S/C29H26N2O3/c32-26-27(33)31(21-11-19-24-14-6-2-7-15-24)28(34)29(30-26,22-25-16-8-3-9-17-25)20-10-18-23-12-4-1-5-13-23/h1-19H,20-22H2,(H,30,32)/b18-10+,19-11+
InChIKey MUNPGKKAUMMDLF-XOBNHNQQSA-N
Mol Weight 450.54 g/mol
Molecular Formula C29H26N2O3
Exact Mass 450.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kvlg9NR4ppC
Name 6-Benzyl-4,6-bis[(E)-3-phenylallyl]piperazine-2,3,5-trione
Comments Computed using HOSE algorithm
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Exact Mass 450.194342702 u
Formula C29H26N2O3
InChI InChI=1S/C29H26N2O3/c32-26-27(33)31(21-11-19-24-14-6-2-7-15-24)28(34)29(30-26,22-25-16-8-3-9-17-25)20-10-18-23-12-4-1-5-13-23/h1-19H,20-22H2,(H,30,32)/b18-10+,19-11+
InChIKey MUNPGKKAUMMDLF-XOBNHNQQSA-N
Molecular Weight 450.538 g/mol
SMILES C1(NC(C(N(C1=O)C\C=C\C=1C=CC=CC1)=O)(C\C=C\C=1C=CC=CC1)CC=1C=CC=CC1)=O