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Ethyl 1,3a,4,6,6a-hexahydro-4,6-dioxo-3-phenyl-5-(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-1-carboxylate isomer
SpectraBase Compound ID xlt4QEXyqb
InChI InChI=1S/C22H20N2O5/c1-3-29-22(27)19-17-16(18(23-19)13-7-5-4-6-8-13)20(25)24(21(17)26)14-9-11-15(28-2)12-10-14/h4-12,16-17,19H,3H2,1-2H3/t16-,17+,19-/m0/s1
InChIKey SBFAMFLQCCYXCI-SCTDSRPQSA-N
Mol Weight 392.41 g/mol
Molecular Formula C22H20N2O5
Exact Mass 392.137222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MDhiAHk6Jr
Name Ethyl 1,3a,4,6,6a-hexahydro-4,6-dioxo-3-phenyl-5-(4-methoxyphenyl)pyrrolo[3,4-c]pyrrole-1-carboxylate isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O5
InChI InChI=1S/C22H20N2O5/c1-3-29-22(27)19-17-16(18(23-19)13-7-5-4-6-8-13)20(25)24(21(17)26)14-9-11-15(28-2)12-10-14/h4-12,16-17,19H,3H2,1-2H3/t16-,17+,19-/m0/s1
InChIKey SBFAMFLQCCYXCI-SCTDSRPQSA-N
Molecular Weight 392.411 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccc(cc2)OC)([C@](C(=O)OCC)([H])N=C1c1ccccc1)[H])[H]
SPLASH splash10-0006-0809000000-f6eeda40a5c425488c2c
Source of Spectrum CV-0-159-4
Wiley ID 849179