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Ethyl 4-(2-Diphenylethenyl)-3,7-diazabicyclo[3.3.0]octan-6,8-dione-2-carboxylate isomer
SpectraBase Compound ID E0hmuONYWGl
InChI InChI=1S/C29H26N2O4/c1-2-35-29(34)26-25-24(27(32)31(28(25)33)21-16-10-5-11-17-21)23(30-26)18-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,23-26,30H,2H2,1H3/t23-,24-,25-,26+/m1/s1
InChIKey DENAIYHXOYBLHN-POTDNYQPSA-N
Mol Weight 466.54 g/mol
Molecular Formula C29H26N2O4
Exact Mass 466.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ReWiogi9xp
Name Ethyl 4-(2-Diphenylethenyl)-3,7-diazabicyclo[3.3.0]octan-6,8-dione-2-carboxylate isomer
Alternate Name(s) (1S,3R,3aS,6aR)-3-(2,2-Diphenyl-vinyl)-4,6-dioxo-5-phenyl-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid ethyl ester
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Formula C29H26N2O4
InChI InChI=1S/C29H26N2O4/c1-2-35-29(34)26-25-24(27(32)31(28(25)33)21-16-10-5-11-17-21)23(30-26)18-22(19-12-6-3-7-13-19)20-14-8-4-9-15-20/h3-18,23-26,30H,2H2,1H3/t23-,24-,25-,26+/m1/s1
InChIKey DENAIYHXOYBLHN-POTDNYQPSA-N
Molecular Weight 466.537 g/mol
SMILES N1[C@@]([C@@]2([C@]([C@]1(C(=O)OCC)[H])(C(N(C2=O)c1ccccc1)=O)[H])[H])(C=C(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-00kf-0062900000-d79c3fe4b2d577aae7ac
Source of Spectrum KC-0-2842-4
Wiley ID 826440