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(1R,2'R,3R,3aR,6aS)-Diethyl 5-methyl-4,6-dioxo-2-(1-phenylethyl)octahydropyrrolio[3,4-c]pyrrole-1,3-dicarboxylate

View entire compound with spectra: 1 MS (GC)

(1R,2'R,3R,3aR,6aS)-Diethyl 5-methyl-4,6-dioxo-2-(1-phenylethyl)octahydropyrrolio[3,4-c]pyrrole-1,3-dicarboxylate
SpectraBase Compound ID 7GOqBtUxVSI
InChI InChI=1S/C21H26N2O6/c1-5-28-20(26)16-14-15(19(25)22(4)18(14)24)17(21(27)29-6-2)23(16)12(3)13-10-8-7-9-11-13/h7-12,14-17H,5-6H2,1-4H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey PNGVCGBHDLBSDM-USACIQFYSA-N
Mol Weight 402.45 g/mol
Molecular Formula C21H26N2O6
Exact Mass 402.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOFkMJCJnq6
Name (1R,2'R,3R,3aR,6aS)-Diethyl 5-methyl-4,6-dioxo-2-(1-phenylethyl)octahydropyrrolio[3,4-c]pyrrole-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O6
InChI InChI=1S/C21H26N2O6/c1-5-28-20(26)16-14-15(19(25)22(4)18(14)24)17(21(27)29-6-2)23(16)12(3)13-10-8-7-9-11-13/h7-12,14-17H,5-6H2,1-4H3/t12-,14-,15+,16-,17-/m1/s1
InChIKey PNGVCGBHDLBSDM-USACIQFYSA-N
Molecular Weight 402.447 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@](C(=O)OCC)(N([C@]1(C(=O)OCC)[H])[C@@](c1ccccc1)(C)[H])[H])[H])[H]
SPLASH splash10-0a4i-0910000000-856d2364514b8a70b9b7
Source of Spectrum SO-0-1294-10
Wiley ID 875027