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Diethyl (1S,3R,3aS,6aR)-1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1,3-dicarboxylate
SpectraBase Compound ID JjVT66uA2YL
InChI InChI=1S/C19H22N2O6/c1-3-26-17(24)14-12-13(16(23)20-15(12)22)19(21-14,18(25)27-4-2)10-11-8-6-5-7-9-11/h5-9,12-14,21H,3-4,10H2,1-2H3,(H,20,22,23)/t12-,13-,14+,19-/m0/s1
InChIKey CDOPUXQEEGEEOS-PJHJGJPPSA-N
Mol Weight 374.39 g/mol
Molecular Formula C19H22N2O6
Exact Mass 374.147786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kmMXZrkt0F
Name Diethyl (1S,3R,3aS,6aR)-1-benzyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1,3-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O6
InChI InChI=1S/C19H22N2O6/c1-3-26-17(24)14-12-13(16(23)20-15(12)22)19(21-14,18(25)27-4-2)10-11-8-6-5-7-9-11/h5-9,12-14,21H,3-4,10H2,1-2H3,(H,20,22,23)/t12-,13-,14+,19-/m0/s1
InChIKey CDOPUXQEEGEEOS-PJHJGJPPSA-N
Literature Reference DOI 10.1016/j.tetasy.2015.05.005
Molecular Weight 374.393 g/mol
SMILES N1[C@]([C@@]2([C@@](C(=O)NC2=O)([C@@]1(Cc1ccccc1)C(OCC)=O)[H])[H])(C(OCC)=O)[H]
SPLASH splash10-0006-9101000000-d1f98dd4f49029b59fd8
Source of Spectrum QC-26-677-4cb
Wiley ID 1805709