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Methyl (1S,3R,3aS,6aR)-5-benzyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl (1S,3R,3aS,6aR)-5-benzyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID DebkHNo26pD
InChI InChI=1S/C21H20N2O4/c1-27-21(26)18-16-15(17(22-18)14-10-6-3-7-11-14)19(24)23(20(16)25)12-13-8-4-2-5-9-13/h2-11,15-18,22H,12H2,1H3/t15-,16+,17-,18-/m0/s1
InChIKey OEAGRCJPFROJEP-MHORFTMASA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8I2mmz9B3M1
Name Methyl (1S,3R,3aS,6aR)-5-benzyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Alternate Name(s) (1S,3R,3aS,6aR)-methyl 5-benzyl-4,6-dioxo-3-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-27-21(26)18-16-15(17(22-18)14-10-6-3-7-11-14)19(24)23(20(16)25)12-13-8-4-2-5-9-13/h2-11,15-18,22H,12H2,1H3/t15-,16+,17-,18-/m0/s1
InChIKey OEAGRCJPFROJEP-MHORFTMASA-N
Molecular Weight 364.401 g/mol
SMILES N1[C@@]([C@@]2(C(N(C([C@@]2([C@@]1(c1ccccc1)[H])[H])=O)Cc1ccccc1)=O)[H])(C(=O)OC)[H]
SPLASH splash10-00di-5090000000-34e7672ce42552770659
Source of Spectrum QC-23-1602-8
Wiley ID 1733918