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(2S,2ar,5as)-1-Benzoyl-3,5-dioxo-2,4-diphenyl-1,2,3,4,5,6-hexahydropyrrolo(3,4-C)pyrrole

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

(2S,2ar,5as)-1-Benzoyl-3,5-dioxo-2,4-diphenyl-1,2,3,4,5,6-hexahydropyrrolo(3,4-C)pyrrole
SpectraBase Compound ID LfXfml8nYTC
InChI InChI=1S/C25H20N2O3/c28-23(18-12-6-2-7-13-18)26-16-20-21(22(26)17-10-4-1-5-11-17)25(30)27(24(20)29)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKey LZVNGKZIHPRVON-UHFFFAOYSA-N
Mol Weight 396.45 g/mol
Molecular Formula C25H20N2O3
Exact Mass 396.147393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8wdp3bsQUk
Name (2S,2ar,5as)-1-Benzoyl-3,5-dioxo-2,4-diphenyl-1,2,3,4,5,6-hexahydropyrrolo(3,4-C)pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.147392509 u
Formula C25H20N2O3
InChI InChI=1S/C25H20N2O3/c28-23(18-12-6-2-7-13-18)26-16-20-21(22(26)17-10-4-1-5-11-17)25(30)27(24(20)29)19-14-8-3-9-15-19/h1-15,20-22H,16H2
InChIKey LZVNGKZIHPRVON-UHFFFAOYSA-N
Molecular Weight 396.446 g/mol
SMILES C12C(C(C3=CC=CC=C3)N(C1)C(=O)C1=CC=CC=C1)C(=O)N(C2=O)C1=CC=CC=C1