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Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 5,5'-methylenebis[tetrahydro-2-(4-methylphenyl)-, [cis(cis)]-
SpectraBase Compound ID LP69vjnGIce
InChI InChI=1S/C27H28N4O4/c1-16-3-7-18(8-4-16)30-24(32)20-11-28(12-21(20)25(30)33)15-29-13-22-23(14-29)27(35)31(26(22)34)19-9-5-17(2)6-10-19/h3-10,20-23H,11-15H2,1-2H3/t20-,21+,22-,23+
InChIKey JJHLVDNCHWSTEB-MESAYYPLSA-N
Mol Weight 472.55 g/mol
Molecular Formula C27H28N4O4
Exact Mass 472.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qHQgI1opd0
Name Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, 5,5'-methylenebis[tetrahydro-2-(4-methylphenyl)-, [cis(cis)]-
CAS Registry Number 115011-92-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N4O4
InChI InChI=1S/C27H28N4O4/c1-16-3-7-18(8-4-16)30-24(32)20-11-28(12-21(20)25(30)33)15-29-13-22-23(14-29)27(35)31(26(22)34)19-9-5-17(2)6-10-19/h3-10,20-23H,11-15H2,1-2H3/t20-,21+,22-,23+
InChIKey JJHLVDNCHWSTEB-MESAYYPLSA-N
Molecular Weight 472.545 g/mol
SMILES C1(N(C([C@@]2(CN(C[C@]12[H])CN1C[C@]2(C(=O)N(C([C@]2(C1)[H])=O)c1ccc(cc1)C)[H])[H])=O)c1ccc(cc1)C)=O
SPLASH splash10-0006-9030000000-d231d552fef2d38a65e9
Source of Spectrum AJ-60-4087-16
Synonyms (3aR,6aS)-5-[((3aR,6aS)-5-(4-methylphenyl)-4,6-dioxohexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methyl]-2-(4-methylphenyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione Bis(2-(p-tolyl)-hexahydro-1,3-dioxo-pyorrolo[3,4-c]pyrrolyl]methane
Wiley ID 1393394