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Diethyl (3R*,3aS*,6aR*)-3-benzoyl-5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-1,1(2H)-dicarboxylate
SpectraBase Compound ID 6vvcfp2n8IP
InChI InChI=1S/C20H22N2O7/c1-4-28-18(26)20(19(27)29-5-2)13-12(16(24)22(3)17(13)25)14(21-20)15(23)11-9-7-6-8-10-11/h6-10,12-14,21H,4-5H2,1-3H3/t12-,13-,14+/m0/s1
InChIKey SHOJKRPFVWBTBA-MELADBBJSA-N
Mol Weight 402.4 g/mol
Molecular Formula C20H22N2O7
Exact Mass 402.142701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1WFwATWCOP1
Name Diethyl (3R*,3aS*,6aR*)-3-benzoyl-5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-1,1(2H)-dicarboxylate
Alternate Name(s) Diethyl (3R,3aS,6aR)-3-benzoyl-5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-1,1(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N2O7
InChI InChI=1S/C20H22N2O7/c1-4-28-18(26)20(19(27)29-5-2)13-12(16(24)22(3)17(13)25)14(21-20)15(23)11-9-7-6-8-10-11/h6-10,12-14,21H,4-5H2,1-3H3/t12-,13-,14+/m0/s1
InChIKey SHOJKRPFVWBTBA-MELADBBJSA-N
Literature Reference DOI 10.1016/j.tet.2015.09.039
Molecular Weight 402.403 g/mol
SMILES N1C([C@]2([C@@]([C@@]1(C(=O)c1ccccc1)[H])(C(N(C2=O)C)=O)[H])[H])(C(=O)OCC)C(=O)OCC
SPLASH splash10-00kb-1980000000-7bf0f3181fcb02051c79
Source of Spectrum F-71-8816-all_cis_12a
Wiley ID 1803211