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Methyl (1S*,3R*,3aS*,6aR*)-3-benzoyl-5-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID 2j505NoE0Q2
InChI InChI=1S/C22H20N2O5/c1-29-22(28)18-16-15(17(23-18)19(25)14-10-6-3-7-11-14)20(26)24(21(16)27)12-13-8-4-2-5-9-13/h2-11,15-18,23H,12H2,1H3/t15-,16+,17+,18-/m0/s1
InChIKey AHPPQMVWPNWPDL-MLHJIOFPSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7O9ea70EPce
Name Methyl (1S*,3R*,3aS*,6aR*)-3-benzoyl-5-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Alternate Name(s) Methyl (1S,3R,3aS,6aR)-3-benzoyl-5-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-29-22(28)18-16-15(17(23-18)19(25)14-10-6-3-7-11-14)20(26)24(21(16)27)12-13-8-4-2-5-9-13/h2-11,15-18,23H,12H2,1H3/t15-,16+,17+,18-/m0/s1
InChIKey AHPPQMVWPNWPDL-MLHJIOFPSA-N
Literature Reference DOI 10.1016/j.tet.2015.09.039
Molecular Weight 392.411 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)c1ccccc1)[H])(C(N(C2=O)Cc1ccccc1)=O)[H])[H])(C(=O)OC)[H]
SPLASH splash10-000l-4090000000-ba7661c9e478663001a7
Source of Spectrum F-71-8815-endo_cis_9b
Wiley ID 1803242