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Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-[4-(dimethylamino)phenyl]octahydro-1-methyl-4,6-dioxo-5-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
SpectraBase Compound ID 6jGWaUG5EFR
InChI InChI=1S/C23H25N3O4/c1-23(22(29)30-4)18-17(19(24-23)14-10-12-15(13-11-14)25(2)3)20(27)26(21(18)28)16-8-6-5-7-9-16/h5-13,17-19,24H,1-4H3/t17-,18-,19-,23-/m1/s1
InChIKey VTSDGJRPUJUJBZ-FZONSQQESA-N
Mol Weight 407.47 g/mol
Molecular Formula C23H25N3O4
Exact Mass 407.184506 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSLCbTYhdMg
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3-[4-(dimethylamino)phenyl]octahydro-1-methyl-4,6-dioxo-5-phenyl-, methyl ester, (1.alpha.,3.alpha.,3a.beta.,6a.beta.)-
Alternate Name(s) Methyl (1R,3S,3aR,6aS)-3-[4-(dimethylamino)phenyl]-1-methyl-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate Methyl c-4-(4-dimethylaminophenyl)-2-methyl-7-phenyl-6,8-dioxo-3,7-diazabicyclo[3.3.0]-octane-r-2-carboxylate
CAS Registry Number 89902-57-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O4
InChI InChI=1S/C23H25N3O4/c1-23(22(29)30-4)18-17(19(24-23)14-10-12-15(13-11-14)25(2)3)20(27)26(21(18)28)16-8-6-5-7-9-16/h5-13,17-19,24H,1-4H3/t17-,18-,19-,23-/m1/s1
InChIKey VTSDGJRPUJUJBZ-FZONSQQESA-N
Molecular Weight 407.470 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@@]1(C(=O)OC)C)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccc(cc1)N(C)C)[H]
SPLASH splash10-00e9-0950100000-596ff43abf5062b4ee73
Source of Spectrum KC-1984-45-0
Wiley ID 1372584