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2-(2'-Methoxyphenyl)-4,7-diphenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane isomer
SpectraBase Compound ID 5uGB1uxszyI
InChI InChI=1S/C25H22N2O3/c1-30-19-15-9-8-14-18(19)23-21-20(22(26-23)16-10-4-2-5-11-16)24(28)27(25(21)29)17-12-6-3-7-13-17/h2-15,20-23,26H,1H3/t20-,21+,22-,23-/m0/s1
InChIKey ZLELGSOFSAMJMT-BJESRGMDSA-N
Mol Weight 398.46 g/mol
Molecular Formula C25H22N2O3
Exact Mass 398.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyDewbT47e8
Name 2-(2'-Methoxyphenyl)-4,7-diphenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane isomer
Alternate Name(s) (2S,3R,6aR)-4-((R)-2-Methoxy-phenyl)-2,6-diphenyl-tetrahydro-pyrrolo[3,4-c]pyrrole-1,3-dione 2-(2'-Methoxyphenyl)-4,7-diphenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]octane 4-(2-Methoxyphenyl)-2,6-diphenyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
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Formula C25H22N2O3
InChI InChI=1S/C25H22N2O3/c1-30-19-15-9-8-14-18(19)23-21-20(22(26-23)16-10-4-2-5-11-16)24(28)27(25(21)29)17-12-6-3-7-13-17/h2-15,20-23,26H,1H3/t20-,21+,22-,23-/m0/s1
InChIKey ZLELGSOFSAMJMT-BJESRGMDSA-N
Molecular Weight 398.462 g/mol
SMILES N1[C@]([C@@]2([C@]([C@@]1(c1c(OC)cccc1)[H])(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-004i-0090000000-c02f41cafc69b3efa955
Source of Spectrum F-51-13342-17
Wiley ID 794502