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2,7-Diphenyl-3H-5,5a,8a,9-tetrahydropyrrolo[3,4-g]quinazolin-4,6,8-trione
SpectraBase Compound ID Cc17MLiTpVU
InChI InChI=1S/C22H17N3O3/c26-20-17-11-15-16(22(28)25(21(15)27)14-9-5-2-6-10-14)12-18(17)23-19(24-20)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,23,24,26)
InChIKey MHCPSXUGWIBSQT-UHFFFAOYSA-N
Mol Weight 371.4 g/mol
Molecular Formula C22H17N3O3
Exact Mass 371.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hzv16twodMI
Name 2,7-Diphenyl-3H-5,5A,8A,9-tetrahydropyrrolo[3,4-G]quinazolin-4,6,8-trione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.126991416 u
Formula C22H17N3O3
InChI InChI=1S/C22H17N3O3/c26-20-17-11-15-16(22(28)25(21(15)27)14-9-5-2-6-10-14)12-18(17)23-19(24-20)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,23,24,26)
InChIKey MHCPSXUGWIBSQT-UHFFFAOYSA-N
Molecular Weight 371.396 g/mol
SMILES C1(N(C(C2CC=3N=C(NC(C3CC12)=O)C=1C=CC=CC1)=O)C1=CC=CC=C1)=O