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 Google Search
Mol Weight	402.4 g/mol
Molecular Formula	C20H22N2O7
Exact Mass	402.142701 g/mol

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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
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
Synonyms	Diethyl (3R,3aS,6aR)-3-benzoyl-5-methyl-4,6-dioxohexahydropyrrolo[3,4-c]pyrrole-1,1(2H)-dicarboxylate
Wiley ID	1803211